data_2mz9_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 2mz9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 99.99 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 99.99 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 99.99 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 99.99 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 99.99 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 99.99 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 99.99 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 99.99 109.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 99.99 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 99.99 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 99.99 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 99.99 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 99.99 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 99.99 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 99.99 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 99.99 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 99.99 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 99.99 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 99.99 110.3 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 99.99 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 99.99 109.292 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.325 -0.62 . . . . 99.99 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 99.99 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 99.99 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 99.99 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.99 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 99.99 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 99.99 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 99.99 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 99.99 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 99.99 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' GLU . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 99.99 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 99.99 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 99.99 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 99.99 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 99.99 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 99.99 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 99.99 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 99.99 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 99.99 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 99.99 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 99.99 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 99.99 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 99.99 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 99.99 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 99.99 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 99.99 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 99.99 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 99.99 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.99 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.418 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 99.99 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 99.99 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 99.99 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 99.99 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 99.99 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 99.99 110.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 99.99 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 99.99 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 99.99 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 99.99 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 99.99 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 99.99 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.99 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 99.99 109.26 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.628 . . . . 99.99 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 99.99 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 99.99 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 99.99 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.99 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 99.99 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 99.99 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 99.99 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 99.99 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 99.99 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 99.99 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 99.99 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 99.99 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 99.99 111.023 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 99.99 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 99.99 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 99.99 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 99.99 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 99.99 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 99.99 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 99.99 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 99.99 109.319 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.99 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 99.99 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 99.99 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 99.99 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 99.99 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 99.99 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 99.99 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 99.99 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 99.99 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 99.99 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.99 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 99.99 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 99.99 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 99.99 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 99.99 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 99.99 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 99.99 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 99.99 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 99.99 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 99.99 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 99.99 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 99.99 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 99.99 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 99.99 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 99.99 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 99.99 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 99.99 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 99.99 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 99.99 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 99.99 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 99.99 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 99.99 109.633 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 99.99 110.448 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 99.99 109.252 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 99.99 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 99.99 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 99.99 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 99.99 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 99.99 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 99.99 109.32 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 99.99 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 99.99 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 99.99 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 99.99 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 99.99 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 99.99 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.99 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 99.99 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 99.99 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 99.99 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 99.99 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 99.99 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 99.99 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 99.99 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 48.2 t-80 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 99.99 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 99.99 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 99.99 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 99.99 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 99.99 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 99.99 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 99.99 109.318 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 32' ' ' GLU . 4.7 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 99.99 109.272 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 99.99 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 99.99 108.283 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.757 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 99.99 110.3 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 99.99 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 99.99 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 99.99 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 99.99 110.948 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 99.99 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 99.99 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 99.99 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 99.99 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 99.99 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 99.99 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 99.99 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 99.99 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 99.99 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 99.99 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 99.99 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 99.99 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 99.99 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 99.99 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 99.99 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.99 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 99.99 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 99.99 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 99.99 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 99.99 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 99.99 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 99.99 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 99.99 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 99.99 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 99.99 110.419 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 99.99 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 99.99 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 99.99 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' PRO . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 99.99 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' CYS . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 99.99 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 99.99 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 99.99 109.352 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 99.99 109.286 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 99.99 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.99 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.477 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 99.99 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 99.99 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 99.99 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 99.99 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.99 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 99.99 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 99.99 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 99.99 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 99.99 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 99.99 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' CZ ' ' CD2' ' A' ' 20' ' ' HIS . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 99.99 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 99.99 109.567 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 99.99 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 99.99 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 99.99 109.342 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 8.5 m80 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 99.99 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.99 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 99.99 109.347 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.273 -0.639 . . . . 99.99 109.273 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 99.99 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 99.99 108.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 99.99 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 99.99 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 99.99 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 99.99 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 99.99 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 99.99 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 99.99 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 99.99 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 99.99 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 99.99 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 99.99 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 99.99 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' CE ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 99.99 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 99.99 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 99.99 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 99.99 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 99.99 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 99.99 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 99.99 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 99.99 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 99.99 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 99.99 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 99.99 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 99.99 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 99.99 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 99.99 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 99.99 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 99.99 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 99.99 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 99.99 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 99.99 109.59 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 99.99 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 99.99 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 99.99 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 99.99 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 99.99 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 99.99 108.279 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 99.99 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 99.99 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 99.99 109.336 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 99.99 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 99.99 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 99.99 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 99.99 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 99.99 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 99.99 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 99.99 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 99.99 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 99.99 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 99.99 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 99.99 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 99.99 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 99.99 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 99.99 109.603 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 99.99 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 99.99 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 99.99 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 99.99 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 99.99 110.36 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 99.99 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 99.99 109.334 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 99.99 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.99 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 99.99 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' LYS . 34.2 m-70 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 99.99 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 99.99 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 99.99 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 99.99 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 99.99 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 99.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 99.99 109.303 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 99.99 109.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 99.99 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 99.99 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 99.99 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 99.99 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 99.99 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 99.99 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 99.99 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 99.99 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 99.99 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 99.99 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 99.99 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 99.99 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.641 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 99.99 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 99.99 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 99.99 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.641 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.6 m80 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 99.99 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 99.99 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 99.99 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 99.99 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 99.99 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 99.99 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 99.99 109.577 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 99.99 110.445 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 99.99 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 99.99 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 99.99 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 99.99 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 99.99 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 99.99 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 99.99 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 99.99 109.311 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 99.99 109.284 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 99.99 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 99.99 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 99.99 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 99.99 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 99.99 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 99.99 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 99.99 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 99.99 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 99.99 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 99.99 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 99.99 109.36 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 99.99 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 99.99 111.008 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 99.99 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.703 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 36.5 t-80 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 99.99 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 99.99 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 99.99 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 99.99 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 99.99 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 99.99 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 99.99 109.247 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.639 . . . . 99.99 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 99.99 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 99.99 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 54.3 m-70 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 99.99 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 99.99 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 99.99 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 99.99 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 99.99 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 99.99 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.527 HD11 ' N ' ' A' ' 38' ' ' ILE . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 99.99 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 99.99 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 99.99 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 99.99 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 99.99 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 99.99 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 99.99 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 99.99 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.99 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 99.99 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 99.99 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 99.99 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 99.99 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 99.99 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 99.99 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 99.99 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 99.99 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 99.99 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 99.99 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 99.99 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 99.99 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 99.99 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 99.99 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 99.99 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 99.99 110.446 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 99.99 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 99.99 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 99.99 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 99.99 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 99.99 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 99.99 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 99.99 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 99.99 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 99.99 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 99.99 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 99.99 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 99.99 109.299 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 99.99 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 99.99 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 11' ' ' GLY . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 99.99 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 99.99 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 99.99 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 99.99 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 99.99 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 99.99 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 99.99 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 99.99 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 99.99 109.635 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 99.99 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 99.99 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 99.99 109.355 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 99.99 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 99.99 110.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 99.99 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.99 109.307 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.295 -0.631 . . . . 99.99 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.99 109.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 99.99 108.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 99.99 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 99.99 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 99.99 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 99.99 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 99.99 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 99.99 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 99.99 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 99.99 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 99.99 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 99.99 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 99.99 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 99.99 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 99.99 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 99.99 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 99.99 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 99.99 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 99.99 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 99.99 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 99.99 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 99.99 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 99.99 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 99.99 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 99.99 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 99.99 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 99.99 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.448 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 99.99 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 99.99 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 99.99 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 99.99 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.491 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 99.99 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 99.99 110.372 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 99.99 109.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 99.99 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 99.99 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 99.99 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 99.99 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 99.99 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 99.99 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 99.99 109.263 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.269 -0.641 . . . . 99.99 109.269 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 99.99 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 99.99 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 99.99 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.99 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 99.99 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 99.99 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.99 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.48 HD21 ' CE1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 99.99 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 99.99 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 99.99 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 99.99 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 99.99 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 99.99 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 99.99 109.563 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 99.99 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 99.99 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 99.99 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 99.99 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 99.99 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 99.99 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 99.99 109.31 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 10.5 ttmt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.372 -0.603 . . . . 99.99 109.372 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 99.99 109.279 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 99.99 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' C ' ' A' ' 32' ' ' GLU . 55.6 m-70 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 99.99 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 99.99 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 99.99 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 99.99 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 99.99 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 99.99 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 99.99 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' GLU . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.99 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 99.99 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 99.99 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 99.99 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 99.99 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 99.99 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 99.99 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 99.99 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 99.99 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 99.99 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 99.99 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 99.99 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 99.99 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 99.99 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 99.99 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 99.99 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 99.99 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 99.99 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 99.99 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.99 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 99.99 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 99.99 109.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.438 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 99.99 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 99.99 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 99.99 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 99.99 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 99.99 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 99.99 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 99.99 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 99.99 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' CE1' HD21 ' A' ' 10' ' ' ASN . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 99.99 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 99.99 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.281 -0.637 . . . . 99.99 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 99.99 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 99.99 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 99.99 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 99.99 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 99.99 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 99.99 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 99.99 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 99.99 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 99.99 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 99.99 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 99.99 109.287 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 99.99 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' A' ' 20' ' ' HIS . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 99.99 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 99.99 109.601 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 99.99 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 99.99 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 99.99 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.7 m80 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 99.99 109.82 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 99.99 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 99.99 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 99.99 109.322 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 99.99 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 99.99 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 99.99 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 99.99 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 99.99 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 99.99 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 99.99 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 99.99 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 99.99 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 99.99 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 99.99 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 99.99 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 99.99 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 99.99 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 99.99 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 99.99 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 99.99 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 99.99 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 99.99 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 99.99 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 99.99 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 99.99 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 99.99 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 99.99 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 99.99 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 99.99 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 99.99 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 99.99 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 99.99 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 99.99 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.444 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 99.99 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 99.99 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 99.99 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 99.99 109.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 99.99 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 99.99 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 99.99 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 99.99 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 99.99 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 99.99 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.335 -0.617 . . . . 99.99 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 99.99 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 99.99 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 99.99 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 99.99 109.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 99.99 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 99.99 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 99.99 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 99.99 109.33 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 99.99 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 99.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 99.99 109.312 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 99.99 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 99.99 111.028 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 99.99 109.631 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 99.99 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 99.99 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 99.99 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 99.99 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 99.99 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 99.99 109.288 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 99.99 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 99.99 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 99.99 108.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 99.99 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 99.99 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 99.99 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 99.99 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 99.99 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 99.99 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 99.99 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 99.99 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 99.99 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 99.99 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 99.99 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 99.99 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 99.99 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 99.99 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 99.99 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 99.99 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 99.99 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 99.99 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 99.99 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 99.99 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 99.99 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 99.99 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 99.99 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 99.99 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 99.99 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 99.99 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 99.99 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 99.99 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 99.99 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 99.99 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 99.99 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 99.99 109.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 99.99 110.468 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 99.99 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 99.99 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 99.99 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 99.99 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 99.99 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 99.99 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 99.99 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 99.99 109.307 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 99.99 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 99.99 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 99.99 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 99.99 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 99.99 109.327 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 99.99 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 99.99 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 99.99 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 99.99 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 99.99 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 99.99 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 99.99 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 99.99 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 99.99 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 99.99 109.587 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 99.99 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 99.99 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 99.99 109.28 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 8.1 m80 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 99.99 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 99.99 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 99.99 109.31 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.353 -0.61 . . . . 99.99 109.353 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 99.99 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 99.99 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 99.99 109.749 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 99.99 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 99.99 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 99.99 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 99.99 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 99.99 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 99.99 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 99.99 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 99.99 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 99.99 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 99.99 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 99.99 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 99.99 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 99.99 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 99.99 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 99.99 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 99.99 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 99.99 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 99.99 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 99.99 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 99.99 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 99.99 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 99.99 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 99.99 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 99.99 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 99.99 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 99.99 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 99.99 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.45 ' HD3' ' HA2' ' A' ' 61' ' ' GLY . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 99.99 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 99.99 110.4 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 99.99 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 99.99 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 99.99 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 99.99 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 99.99 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 99.99 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 99.99 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 99.99 109.238 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 99.99 109.307 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 99.99 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 99.99 109.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 99.99 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 99.99 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 99.99 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 99.99 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 99.99 109.235 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 99.99 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 99.99 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 99.99 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 99.99 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 99.99 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 99.99 111.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 99.99 109.6 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 99.99 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 99.99 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 99.99 109.311 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 99.99 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 99.99 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 99.99 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 99.99 109.343 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 99.99 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 99.99 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 99.99 108.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 99.99 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.99 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 99.99 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 99.99 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 99.99 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 99.99 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 99.99 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 99.99 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 99.99 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 99.99 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 99.99 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 99.99 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 99.99 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 99.99 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 99.99 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 99.99 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 99.99 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 99.99 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 99.99 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 99.99 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 99.99 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 99.99 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 99.99 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.2 m170 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 99.99 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 99.99 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 99.99 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.434 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 99.99 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 99.99 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 99.99 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 99.99 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 99.99 109.597 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 99.99 110.418 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 99.99 109.261 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 99.99 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 99.99 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 65' ' ' CYS . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 99.99 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 99.99 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 99.99 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 99.99 109.307 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.631 . . . . 99.99 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 99.99 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 99.99 109.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 99.99 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 99.99 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 99.99 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 99.99 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 99.99 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 99.99 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 99.99 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 99.99 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 99.99 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 99.99 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.99 110.969 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 99.99 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 99.99 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 99.99 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 99.99 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 99.99 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 99.99 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 99.99 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.99 109.281 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 99.99 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 99.99 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 99.99 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.766 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 99.99 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 99.99 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 99.99 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 99.99 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 99.99 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 99.99 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 99.99 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 99.99 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 99.99 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 99.99 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 99.99 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 99.99 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 99.99 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 99.99 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 99.99 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 99.99 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 99.99 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 99.99 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 99.99 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 99.99 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 99.99 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 99.99 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.4 m170 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 99.99 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 99.99 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 99.99 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 99.99 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 99.99 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 99.99 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 99.99 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 99.99 109.568 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 99.99 110.377 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 99.99 109.357 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 99.99 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 99.99 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 99.99 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 99.99 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 99.99 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 99.99 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 99.99 109.294 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 99.99 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 99.99 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 99.99 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 99.99 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 99.99 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 99.99 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 99.99 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 99.99 109.276 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 99.99 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 99.99 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 99.99 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 99.99 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 99.99 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 99.99 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 99.99 109.635 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 99.99 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 99.99 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 99.99 109.379 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 99.99 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 99.99 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 99.99 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 99.99 109.335 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 99.99 109.278 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 99.99 108.278 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 99.99 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 99.99 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 99.99 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 99.99 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 99.99 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 99.99 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 99.99 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 99.99 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 99.99 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 99.99 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 99.99 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 99.99 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 99.99 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 99.99 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 99.99 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 99.99 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 99.99 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 99.99 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 99.99 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 99.99 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.653 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 99.99 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 99.99 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 99.99 108.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.7 m170 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 99.99 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 99.99 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 99.99 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 99.99 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.99 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 99.99 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 99.99 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 99.99 109.568 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 99.99 110.411 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 99.99 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 99.99 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 99.99 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 99.99 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 99.99 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 99.99 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 99.99 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 99.99 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.283 -0.636 . . . . 99.99 109.283 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 99.99 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 99.99 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.99 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 99.99 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 99.99 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 99.99 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 99.99 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 99.99 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 99.99 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 99.99 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 99.99 109.325 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 99.99 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 99.99 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 99.99 109.624 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 99.99 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 99.99 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 99.99 109.3 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 99.99 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 99.99 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 99.99 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 99.99 109.323 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 99.99 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 99.99 109.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.99 108.329 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 99.99 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 99.99 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 99.99 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 99.99 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 99.99 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 99.99 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 99.99 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 99.99 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 99.99 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 99.99 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 99.99 110.929 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 99.99 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 99.99 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 99.99 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 99.99 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 99.99 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 99.99 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 99.99 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 99.99 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 99.99 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.633 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 99.99 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' CG ' ' CG2' ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 99.99 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 99.99 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 99.99 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.633 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 12.2 m80 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 99.99 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 99.99 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 99.99 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 99.99 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 99.99 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.99 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 99.99 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 99.99 109.584 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.498 ' CG2' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 99.99 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 99.99 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 99.99 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 99.99 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 99.99 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 99.99 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 99.99 109.804 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 99.99 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 99.99 109.339 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.313 -0.625 . . . . 99.99 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 99.99 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 99.99 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 99.99 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 99.99 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 99.99 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 99.99 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 99.99 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 99.99 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 99.99 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 99.99 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 99.99 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 99.99 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 99.99 110.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 99.99 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 42.2 t-80 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 99.99 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 99.99 109.349 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 99.99 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 99.99 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.658 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 99.99 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.99 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 99.99 109.293 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 99.99 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 99.99 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 99.99 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.77 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 99.99 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 99.99 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 99.99 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 99.99 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 99.99 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 99.99 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 99.99 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 99.99 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 99.99 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 99.99 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 99.99 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 99.99 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 99.99 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 99.99 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 99.99 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 99.99 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 99.99 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 99.99 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 99.99 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 99.99 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 99.99 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 99.99 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 99.99 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 99.99 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 99.99 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 99.99 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 99.99 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 99.99 109.617 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 99.99 110.421 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 99.99 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 99.99 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 99.99 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 99.99 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 99.99 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 99.99 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 99.99 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 99.99 109.25 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 99.99 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 99.99 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 99.99 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 99.99 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 99.99 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 99.99 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 99.99 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 99.99 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 99.99 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 99.99 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 99.99 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 99.99 109.282 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 99.99 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 99.99 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 99.99 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 32.4 t-80 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 99.99 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 99.99 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 99.99 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 99.99 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 99.99 110.265 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 99.99 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 99.99 109.327 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 99.99 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 99.99 109.32 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 99.99 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 99.99 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 99.99 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 99.99 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 99.99 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 99.99 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 99.99 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 99.99 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 99.99 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 99.99 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 99.99 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 99.99 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 99.99 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 99.99 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 99.99 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 99.99 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 99.99 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 99.99 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 99.99 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' NZ ' ' HE2' ' A' ' 57' ' ' GLU . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 99.99 109.264 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 99.99 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 99.99 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 99.99 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 99.99 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 99.99 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 99.99 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 99.99 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 99.99 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 99.99 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 99.99 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 99.99 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.405 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 99.99 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 99.99 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 99.99 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 99.99 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 99.99 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 99.99 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 99.99 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 99.99 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 99.99 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 99.99 109.349 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.274 -0.639 . . . . 99.99 109.274 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 99.99 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 99.99 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 99.99 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 99.99 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.99 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 99.99 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 99.99 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 99.99 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.531 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 99.99 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 99.99 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 99.99 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 99.99 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 99.99 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 99.99 109.648 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 99.99 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 99.99 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 99.99 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 99.99 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 99.99 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 99.99 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 99.99 109.285 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 99.99 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 99.99 109.32 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 99.99 108.341 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 99.99 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 99.99 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 99.99 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 99.99 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 99.99 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 99.99 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 99.99 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 99.99 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 99.99 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 99.99 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 99.99 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 99.99 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 99.99 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 99.99 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 99.99 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 99.99 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 99.99 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 99.99 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 99.99 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 99.99 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 99.99 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 99.99 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 99.99 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 99.99 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 99.99 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 99.99 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.539 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 99.99 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 99.99 111.02 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 99.99 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.99 110.395 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 99.99 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 99.99 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 99.99 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 99.99 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 99.99 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 99.99 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.99 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 99.99 109.258 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.272 -0.64 . . . . 99.99 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 99.99 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 99.99 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 99.99 109.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 99.99 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 99.99 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 99.99 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 99.99 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 18.6 t30 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 99.99 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 99.99 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 99.99 109.258 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 99.99 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 99.99 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 17' ' ' HIS . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.99 111.027 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 99.99 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 99.99 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 99.99 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 99.99 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 99.99 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 99.99 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 99.99 109.31 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mttm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 99.99 109.326 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 99.99 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 99.99 108.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 99.99 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 99.99 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 99.99 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 99.99 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 99.99 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 99.99 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 99.99 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 99.99 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 99.99 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 99.99 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 99.99 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 99.99 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 99.99 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 99.99 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 99.99 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 99.99 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 99.99 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 99.99 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 99.99 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 99.99 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 99.99 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 99.99 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 99.99 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 99.99 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 99.99 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 99.99 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 99.99 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 99.99 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 99.99 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 99.99 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 99.99 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 99.99 109.586 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 99.99 110.416 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 99.99 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 99.99 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 99.99 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 99.99 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 99.99 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 99.99 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 99.99 109.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.29 -0.633 . . . . 99.99 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 99.99 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 99.99 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 99.99 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 99.99 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 99.99 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 99.99 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 99.99 109.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 99.99 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 99.99 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 99.99 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 99.99 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 99.99 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 99.99 110.987 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 99.99 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 99.99 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 99.99 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 99.99 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 99.99 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 99.99 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 99.99 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 99.99 109.227 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.268 -0.641 . . . . 99.99 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 99.99 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 99.99 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 99.99 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 99.99 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 99.99 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 99.99 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 99.99 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 99.99 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 99.99 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 99.99 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 99.99 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 99.99 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 99.99 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 99.99 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 99.99 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 99.99 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 99.99 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 99.99 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 99.99 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 99.99 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 99.99 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 99.99 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 99.99 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.773 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 99.99 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 99.99 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 99.99 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 99.99 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 99.99 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 99.99 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 99.99 109.544 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 99.99 110.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 99.99 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 99.99 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 99.99 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 99.99 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 99.99 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 99.99 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 99.99 109.347 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 99.99 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.4 m-20 85.89 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 99.99 109.326 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 99.99 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 99.99 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 99.99 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 99.99 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 99.99 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 99.99 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 99.99 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.46 ' ND2' ' O1A' ' A' ' 103' ' ' HEC . 69.1 m-80 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 99.99 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 99.99 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 99.99 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 99.99 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 99.99 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 99.99 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 99.99 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 99.99 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 99.99 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 99.99 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 99.99 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 99.99 110.3 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 99.99 109.278 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.8 11.76 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 99.99 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 1.6 t -126.22 137.13 29.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 99.99 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.5 Cg_exo -29.59 -67.91 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.323 3.348 . . . . 99.99 109.588 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' CYS . 16.0 t0 -161.52 44.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 99.99 109.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 9.9 t 54.14 172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 99.99 108.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.1 mtpt 83.31 19.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 99.99 109.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 99.99 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 99.99 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 99.99 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.99 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 99.99 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 99.99 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 99.99 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 99.99 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' CD ' ' O2D' ' A' ' 101' ' ' HEC . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 99.99 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 39' ' ' GLU . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 99.99 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 99.99 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 99.99 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 99.99 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 99.99 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 99.99 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 99.99 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 99.99 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 99.99 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 99.99 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 99.99 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 99.99 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 99.99 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 99.99 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 99.99 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 99.99 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 99.99 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 99.99 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.99 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.418 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 99.99 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 99.99 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' CMD' ' A' ' 102' ' ' HEC . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 99.99 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 99.99 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 99.99 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 99.99 110.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 99.99 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 99.99 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 99.99 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 99.99 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 99.99 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 99.99 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.99 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 99.99 109.26 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.499 ' O2D' ' CD ' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.475 ' CMD' ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.46 ' O1A' ' ND2' ' A' ' 10' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.342 -0.614 . . . . 99.99 109.342 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 66.56 -54.87 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 99.99 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 1' ' ' ALA . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 99.99 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.496 ' CD1' ' O1A' ' A' ' 101' ' ' HEC . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 99.99 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 99.99 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.99 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 99.99 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 99.99 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 99.99 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 99.99 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 99.99 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 99.99 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 99.99 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 99.99 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 99.99 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 99.99 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 99.99 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 99.99 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 99.99 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 99.99 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 99.99 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 99.99 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 24' ' ' VAL . . . -155.55 39.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 99.99 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 1.7 t -152.44 128.71 5.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 99.99 109.377 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -79.74 21.12 0.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.34 3.36 . . . . 99.99 109.596 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.5 t70 174.44 82.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 99.99 109.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.85 -27.32 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 99.99 108.342 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -66.27 -11.12 48.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 99.99 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.99 109.289 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 99.99 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 99.99 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 99.99 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 99.99 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 99.99 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 99.99 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 99.99 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 99.99 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 99.99 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.99 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 99.99 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 99.99 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 99.99 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 99.99 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 99.99 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 99.99 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 99.99 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 99.99 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 99.99 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 99.99 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 99.99 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 99.99 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 99.99 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 99.99 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 99.99 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 99.99 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 99.99 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 99.99 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 99.99 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 99.99 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 99.99 109.633 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 99.99 110.448 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 99.99 109.252 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 99.99 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 99.99 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 99.99 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 99.99 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 99.99 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 99.99 109.32 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.523 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.466 ' O2D' ' CB ' ' A' ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.481 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 99.99 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 68.47 -65.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 99.99 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 99.99 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 99.99 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 99.99 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 99.99 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 99.99 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 99.99 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.99 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 99.99 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 99.99 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 99.99 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 99.99 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 99.99 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 99.99 110.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 99.99 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 48.2 t-80 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 99.99 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 99.99 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 99.99 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 99.99 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 99.99 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 99.99 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 12.24 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 99.99 109.318 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 6.5 t -112.68 137.33 21.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 99.99 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.4 Cg_exo -29.18 -69.44 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.349 3.366 . . . . 99.99 109.557 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.8 t0 -152.73 43.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 99.99 109.329 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 2.0 t 45.0 -168.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 99.99 108.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 32' ' ' GLU . 4.7 tttt 69.59 7.27 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 99.99 109.272 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 99.99 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 99.99 108.283 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.757 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 99.99 110.3 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 99.99 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 99.99 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 99.99 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 99.99 110.948 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 99.99 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 99.99 109.312 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 99.99 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 99.99 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 99.99 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 99.99 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 99.99 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 99.99 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 99.99 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 99.99 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 99.99 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 99.99 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 99.99 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 99.99 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 99.99 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.99 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 99.99 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 99.99 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 99.99 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 99.99 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 99.99 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 99.99 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 99.99 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 99.99 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 99.99 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 99.99 110.419 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 99.99 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 99.99 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 99.99 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 62' ' ' PRO . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 99.99 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' CYS . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 99.99 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 99.99 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 99.99 109.352 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.526 ' CHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.419 ' CHC' ' HA ' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 99.99 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.62 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 99.99 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 99.99 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.99 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' CG1' ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 99.99 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 99.99 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 99.99 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 99.99 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.99 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 99.99 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 99.99 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD1' ' CG1' ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 99.99 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 99.99 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 99.99 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.634 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 99.99 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 99.99 109.567 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 99.99 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 99.99 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 99.99 109.342 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 8.5 m80 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 99.99 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.99 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.45 58.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 99.99 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.3 t -129.38 80.88 71.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 99.99 109.35 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.2 Cg_exo -30.02 -38.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.328 3.352 . . . . 99.99 109.575 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.641 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.7 t70 -138.52 85.35 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 99.99 109.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.667 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 31.4 p -48.6 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 99.99 108.322 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 42.1 tttt 102.14 -11.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 99.99 109.273 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 99.99 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 99.99 108.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 99.99 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 99.99 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 99.99 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 99.99 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 99.99 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 99.99 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 99.99 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 99.99 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 99.99 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 99.99 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 99.99 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 99.99 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HG3' ' CHA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 99.99 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 99.99 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 99.99 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 99.99 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 99.99 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 99.99 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 99.99 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 99.99 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 99.99 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 99.99 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 99.99 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 99.99 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 99.99 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 99.99 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 99.99 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 99.99 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 99.99 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 99.99 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 99.99 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 99.99 109.59 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 99.99 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 99.99 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 99.99 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 99.99 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 99.99 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 99.99 108.279 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 99.99 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 99.99 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 99.99 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.547 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.634 ' C1B' ' CE1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.548 ' CHA' ' HG3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.322 -0.621 . . . . 99.99 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -45.95 -25.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 99.99 109.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 99.99 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 99.99 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 99.99 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 99.99 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 99.99 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 99.99 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 99.99 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 99.99 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 99.99 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 99.99 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 99.99 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 99.99 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 99.99 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 99.99 109.603 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 99.99 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 99.99 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 99.99 109.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 99.99 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 99.99 110.36 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 99.99 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.79 -0.8 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 99.99 109.334 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.86 123.69 23.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 99.99 109.297 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.52 -70.04 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.241 3.294 . . . . 99.99 109.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' CYS . 27.3 t0 -142.33 48.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 99.99 109.246 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 26' ' ' ASP . 4.0 m 39.79 -139.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 99.99 108.284 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 11.1 ttmm 71.28 4.85 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 99.99 109.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.99 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 99.99 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' LYS . 34.2 m-70 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 99.99 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 99.99 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 99.99 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 99.99 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 99.99 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 99.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 99.99 109.303 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 99.99 109.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 99.99 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 99.99 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 99.99 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 99.99 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 99.99 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 99.99 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 99.99 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 99.99 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 99.99 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 99.99 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 99.99 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 99.99 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.641 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 99.99 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 99.99 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 99.99 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 99.99 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.641 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.6 m80 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 99.99 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 99.99 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 99.99 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 99.99 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' CE ' ' CMD' ' A' ' 102' ' ' HEC . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 99.99 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 99.99 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 99.99 109.577 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.52 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 99.99 110.445 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 99.99 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 99.99 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 99.99 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 99.99 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 99.99 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 99.99 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 99.99 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 99.99 109.311 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.42 ' CHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.468 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.52 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 99.99 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.24 -57.48 0.33 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 99.99 109.284 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 99.99 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 99.99 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 99.99 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 99.99 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 99.99 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 99.99 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 99.99 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 99.99 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 99.99 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 99.99 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 99.99 109.36 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 99.99 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 99.99 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 99.99 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.703 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 36.5 t-80 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 99.99 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 99.99 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 99.99 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 99.99 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 99.99 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 99.99 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.7 18.8 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 99.99 109.247 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.8 t -151.08 98.77 3.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 99.99 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -36.87 -58.93 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 99.99 109.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 28' ' ' LYS . 18.1 t0 -105.21 69.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 99.99 109.308 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.19 -27.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 99.99 108.286 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm -51.6 -21.31 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 99.99 109.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' CBC' ' A' ' 102' ' ' HEC . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 99.99 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 99.99 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' LYS . 54.3 m-70 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 99.99 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 99.99 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 99.99 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 99.99 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 99.99 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 99.99 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.527 HD11 ' N ' ' A' ' 38' ' ' ILE . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 99.99 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 99.99 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 99.99 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 99.99 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 99.99 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CHA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 99.99 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 99.99 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 99.99 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.99 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 99.99 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 99.99 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 99.99 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 99.99 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 99.99 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 99.99 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 99.99 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 99.99 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 99.99 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 99.99 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 99.99 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 99.99 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 99.99 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 99.99 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.469 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 99.99 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.528 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 99.99 110.446 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 99.99 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 99.99 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 99.99 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 99.99 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 99.99 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 99.99 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 99.99 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 99.99 109.323 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.518 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.528 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.599 ' CHA' ' HG2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 99.99 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.58 -73.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 99.99 109.267 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 99.99 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 99.99 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 99.99 109.299 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 99.99 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 99.99 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 11' ' ' GLY . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 99.99 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 99.99 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 99.99 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.433 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 99.99 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 99.99 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 99.99 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 99.99 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 99.99 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 99.99 109.635 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 99.99 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 99.99 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 99.99 109.355 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 99.99 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 99.99 110.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 99.99 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.7 7.52 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.99 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 26' ' ' ASP . 2.0 t -119.61 87.64 37.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 99.99 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -34.23 -32.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.315 3.344 . . . . 99.99 109.659 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' VAL . 16.4 t0 -145.66 99.95 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 99.99 109.371 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -53.21 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 99.99 108.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 71.99 19.72 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 99.99 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.99 109.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 99.99 108.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 99.99 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 99.99 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 99.99 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 99.99 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 99.99 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 99.99 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 99.99 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 99.99 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 99.99 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 99.99 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 99.99 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 99.99 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 99.99 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 99.99 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 99.99 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 99.99 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 99.99 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 99.99 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 99.99 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 99.99 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 99.99 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 99.99 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 99.99 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 99.99 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 99.99 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 99.99 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.451 ' SD ' ' CMD' ' A' ' 102' ' ' HEC . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 99.99 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 99.99 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 99.99 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 99.99 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 99.99 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.522 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 99.99 110.372 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 99.99 109.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 99.99 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 99.99 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 99.99 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 99.99 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 99.99 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 99.99 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 99.99 109.263 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.588 ' CHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.552 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.522 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 99.99 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.78 30.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 99.99 109.269 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 99.99 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 99.99 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 99.99 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.99 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' O2D' ' A' ' 103' ' ' HEC . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 99.99 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 99.99 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' H ' ' CGA' ' A' ' 103' ' ' HEC . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.99 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.48 HD21 ' CE1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 99.99 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 99.99 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 99.99 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 99.99 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 99.99 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.646 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 99.99 111.037 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 99.99 109.563 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 99.99 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 99.99 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 99.99 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 99.99 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 99.99 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 99.99 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.72 -4.83 36.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 99.99 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 0.7 OUTLIER -127.1 111.38 21.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 99.99 109.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' VAL . 9.8 Cg_exo -31.32 -67.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.265 3.31 . . . . 99.99 109.634 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 27' ' ' CYS . 2.9 t70 -135.06 36.54 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 99.99 109.269 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.542 ' C ' ' O ' ' A' ' 26' ' ' ASP . 28.5 p 31.6 -135.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 99.99 108.289 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.5 ttmt 75.55 -6.22 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 99.99 109.372 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 27' ' ' CYS . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 99.99 109.279 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 99.99 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' C ' ' A' ' 32' ' ' GLU . 55.6 m-70 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 99.99 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 99.99 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 99.99 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 99.99 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 99.99 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 99.99 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 99.99 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' GLU . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.99 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 99.99 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 99.99 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 99.99 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 99.99 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 99.99 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 99.99 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 99.99 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 99.99 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 99.99 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 99.99 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 99.99 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 99.99 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 99.99 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 99.99 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 99.99 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 99.99 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 99.99 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 99.99 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 99.99 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 99.99 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 99.99 109.289 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.438 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 99.99 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 99.99 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 99.99 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 99.99 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 99.99 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 99.99 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 99.99 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 99.99 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' CE1' HD21 ' A' ' 10' ' ' ASN . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 99.99 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 99.99 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.54 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.646 ' C1B' ' CE1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.502 ' CGD' ' HB3' ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 99.99 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -58.22 6.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 99.99 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 99.99 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 99.99 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 99.99 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 99.99 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 99.99 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 99.99 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 99.99 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 99.99 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 99.99 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 99.99 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 99.99 109.287 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 99.99 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.659 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 99.99 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 99.99 109.601 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 99.99 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 99.99 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 99.99 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.7 m80 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 99.99 109.82 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 99.99 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 99.99 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' CB ' ' O2D' ' A' ' 102' ' ' HEC . . . -73.02 -5.03 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 99.99 109.322 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 1.6 t -123.36 114.84 28.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 99.99 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' VAL . 9.3 Cg_exo -31.94 -69.75 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 124.377 3.385 . . . . 99.99 109.591 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.8 t70 -134.34 35.16 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 99.99 109.334 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.514 ' HB2' ' CMC' ' A' ' 101' ' ' HEC . 29.6 p 34.66 -139.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 99.99 108.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 26' ' ' ASP . 17.2 mtpt 76.27 -5.37 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 99.99 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 99.99 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 99.99 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 99.99 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 99.99 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 99.99 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 99.99 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 99.99 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 99.99 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 99.99 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 99.99 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 99.99 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 99.99 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 99.99 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 99.99 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 99.99 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 99.99 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 99.99 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 99.99 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 99.99 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 99.99 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 99.99 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 99.99 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 99.99 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 99.99 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 99.99 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 99.99 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 99.99 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 99.99 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 99.99 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 99.99 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 99.99 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.444 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 99.99 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.521 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 99.99 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 99.99 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 99.99 109.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 99.99 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 99.99 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 99.99 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 99.99 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 99.99 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 99.99 109.332 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.55 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.659 ' C1B' ' CE1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 99.99 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.25 3.26 7.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 99.99 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 99.99 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 99.99 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 99.99 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 99.99 109.351 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 99.99 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 99.99 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB3' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 99.99 109.304 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 99.99 109.33 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 99.99 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 99.99 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 99.99 109.312 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 99.99 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 99.99 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 99.99 109.631 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 99.99 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 99.99 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 99.99 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 99.99 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 99.99 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.6 6.87 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 99.99 109.288 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 26' ' ' ASP . 2.3 t -119.71 85.21 32.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 99.99 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.8 Cg_exo -33.29 -33.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.296 3.331 . . . . 99.99 109.598 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t70 -138.48 96.83 3.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 99.99 109.342 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.0 t -58.96 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 99.99 108.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 13.4 ttmt 85.4 -3.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 99.99 109.344 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 99.99 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 99.99 108.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 99.99 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 99.99 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 99.99 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 99.99 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 99.99 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 99.99 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 99.99 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 99.99 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 99.99 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 99.99 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 99.99 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 99.99 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 99.99 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 99.99 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 99.99 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 99.99 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 99.99 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 99.99 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 99.99 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 99.99 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 99.99 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 99.99 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 99.99 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 99.99 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 99.99 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 99.99 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 99.99 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 99.99 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 99.99 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 99.99 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 99.99 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.45 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 99.99 109.579 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.485 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 99.99 110.468 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 99.99 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 99.99 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 99.99 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 99.99 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 99.99 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 99.99 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 99.99 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 99.99 109.307 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.456 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.475 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.572 ' CGD' ' HB3' ' A' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.327 -0.62 . . . . 99.99 109.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.6 m-20 88.16 -39.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 99.99 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 99.99 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 99.99 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 99.99 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 99.99 109.327 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 99.99 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 99.99 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 99.99 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 99.99 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 99.99 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 99.99 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 99.99 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 99.99 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 99.99 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 99.99 109.587 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 99.99 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 99.99 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 99.99 109.28 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 8.1 m80 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 99.99 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 99.99 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.98 22.5 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 99.99 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.432 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 40.4 t -147.13 94.67 4.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 99.99 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -36.15 -55.09 0.79 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.377 3.385 . . . . 99.99 109.551 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' LYS . 21.6 t0 -107.48 69.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 99.99 109.323 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.37 -28.2 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 99.99 108.307 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -50.49 -23.27 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 99.99 109.353 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 99.99 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 99.99 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' HD2' ' C4B' ' A' ' 101' ' ' HEC . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 99.99 109.749 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 99.99 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 99.99 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 99.99 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 99.99 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 99.99 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 99.99 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 99.99 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 99.99 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 99.99 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 99.99 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 99.99 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 99.99 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 99.99 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 99.99 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 99.99 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 99.99 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 99.99 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 99.99 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 99.99 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 99.99 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 99.99 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 99.99 108.284 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 99.99 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 99.99 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 99.99 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 99.99 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 99.99 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 99.99 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.53 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 99.99 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.488 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 99.99 110.4 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 99.99 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 99.99 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 99.99 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 99.99 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' HB2' ' C2C' ' A' ' 103' ' ' HEC . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 99.99 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 99.99 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 99.99 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 99.99 109.238 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.503 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.53 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.488 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 99.99 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 65.27 -61.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 99.99 109.307 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 99.99 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.435 HD11 ' CGD' ' A' ' 101' ' ' HEC . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 99.99 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 99.99 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 99.99 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 99.99 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 99.99 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB2' ' O1A' ' A' ' 103' ' ' HEC . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 99.99 109.235 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 99.99 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 99.99 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 99.99 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 99.99 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 99.99 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 99.99 111.011 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 99.99 109.6 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 99.99 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 99.99 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 99.99 109.311 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 99.99 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 99.99 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 99.99 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.528 ' CB ' ' O2D' ' A' ' 102' ' ' HEC . . . -118.43 0.74 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 99.99 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -126.4 80.89 68.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 99.99 109.29 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -35.72 -30.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.367 3.378 . . . . 99.99 109.577 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' VAL . 9.0 t0 -125.14 77.02 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 99.99 109.315 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 10.8 t -50.42 166.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.99 108.241 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 90.0 6.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 99.99 109.289 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 99.99 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 99.99 108.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 99.99 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.99 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 99.99 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 99.99 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 99.99 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 99.99 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 99.99 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 99.99 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 99.99 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 99.99 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 99.99 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 99.99 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 99.99 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 99.99 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 99.99 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 99.99 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 99.99 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 99.99 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 99.99 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 99.99 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 99.99 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 99.99 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 99.99 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 99.99 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.2 m170 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 99.99 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 99.99 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 99.99 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.434 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 99.99 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 99.99 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.434 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 99.99 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 99.99 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.557 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 99.99 109.597 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.517 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 99.99 110.418 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 99.99 109.261 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 99.99 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 99.99 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 65' ' ' CYS . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 99.99 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 99.99 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 99.99 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 99.99 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 99.99 109.307 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.607 ' CGD' ' CHA' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.557 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.517 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 99.99 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 67.92 -67.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 99.99 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 1' ' ' ALA . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 99.99 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.466 ' CD1' ' O2D' ' A' ' 101' ' ' HEC . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 99.99 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' CG1' ' OD2' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 99.99 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 99.99 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 99.99 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 99.99 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 99.99 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 99.99 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 99.99 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' OD2' ' CG1' ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 99.99 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 99.99 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 99.99 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.99 110.969 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 99.99 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 99.99 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 99.99 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 99.99 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 99.99 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 99.99 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 99.99 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.9 15.43 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.99 109.281 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -142.0 92.09 7.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 99.99 109.252 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -37.22 -30.0 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.328 3.352 . . . . 99.99 109.532 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' VAL . 17.8 t70 -134.42 96.47 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 99.99 109.299 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.9 OUTLIER -53.27 -25.45 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 99.99 108.292 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt -63.57 -16.45 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 99.99 109.303 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 99.99 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 99.99 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 99.99 109.766 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 99.99 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 99.99 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 99.99 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 99.99 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 99.99 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 99.99 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 99.99 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 99.99 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 99.99 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 99.99 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 99.99 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 99.99 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 99.99 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 99.99 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 99.99 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 99.99 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 99.99 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 99.99 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 99.99 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 99.99 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 99.99 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 99.99 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.4 m170 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 99.99 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 99.99 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 99.99 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.465 ' HE3' ' CMD' ' A' ' 102' ' ' HEC . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 99.99 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 99.99 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 99.99 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 99.99 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 99.99 109.568 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.51 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 99.99 110.377 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 99.99 109.357 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 99.99 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 99.99 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 99.99 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 99.99 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 99.99 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 99.99 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 99.99 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.467 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.492 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.51 ' CMC' ' O ' ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.371 -0.603 . . . . 99.99 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -142.99 -46.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 99.99 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 99.99 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 99.99 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 99.99 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 99.99 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 99.99 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 99.99 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' CB ' ' O2A' ' A' ' 103' ' ' HEC . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 99.99 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 99.99 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 99.99 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 99.99 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 99.99 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 99.99 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' CE1' ' C4B' ' A' ' 102' ' ' HEC . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 99.99 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 99.99 109.635 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 99.99 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 99.99 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 99.99 109.379 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 99.99 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 99.99 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 99.99 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.23 1.73 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 99.99 109.335 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -130.09 74.55 80.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 99.99 109.279 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -43.32 -26.18 0.88 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.269 3.313 . . . . 99.99 109.572 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -124.54 71.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 99.99 109.328 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 9.7 t -43.16 166.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 99.99 108.296 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER 88.99 19.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 99.99 109.319 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 99.99 109.278 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 99.99 108.278 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 99.99 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 99.99 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 99.99 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 99.99 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 99.99 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 99.99 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 99.99 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 99.99 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 99.99 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 99.99 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 99.99 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 99.99 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HG2' ' CHA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 99.99 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 99.99 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 99.99 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 99.99 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 99.99 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 99.99 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 99.99 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 99.99 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.653 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 99.99 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 99.99 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 99.99 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 99.99 108.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.7 m170 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 99.99 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 99.99 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 99.99 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 99.99 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.99 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 99.99 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 99.99 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.521 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 99.99 109.568 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.494 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 99.99 110.411 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 99.99 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 99.99 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 99.99 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 99.99 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 99.99 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 99.99 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 99.99 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 99.99 109.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.498 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.548 ' CHC' ' HA ' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.494 ' CHA' ' HG2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 99.99 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -158.82 -58.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 99.99 109.283 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 99.99 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 99.99 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.99 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 99.99 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 99.99 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 99.99 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 99.99 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 99.99 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 99.99 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 99.99 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 99.99 109.325 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 99.99 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 99.99 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 99.99 109.624 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 99.99 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 99.99 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 99.99 109.3 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 99.99 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 99.99 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 99.99 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.61 10.68 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 99.99 109.323 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -136.81 86.72 21.07 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 99.99 109.25 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.7 Cg_exo -33.17 -46.25 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 124.317 3.345 . . . . 99.99 109.632 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -123.83 100.63 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 99.99 109.267 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.533 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -52.23 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 99.99 108.383 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt 71.45 18.28 5.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.506 1.129 . . . . 99.99 109.346 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 99.99 109.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.99 108.329 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 99.99 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 99.99 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 99.99 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 99.99 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 99.99 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 99.99 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 99.99 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 99.99 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 99.99 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 99.99 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' ' O1D' ' A' ' 101' ' ' HEC . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 99.99 110.929 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 99.99 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 99.99 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 99.99 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 99.99 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 99.99 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 99.99 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 99.99 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 99.99 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 99.99 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 99.99 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' CG ' ' CG2' ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 99.99 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 99.99 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 99.99 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.633 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 12.2 m80 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 99.99 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 99.99 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 99.99 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 99.99 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 99.99 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.99 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 99.99 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.513 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 99.99 109.584 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.498 ' CG2' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 99.99 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 99.99 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 99.99 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 99.99 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 99.99 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 99.99 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.402 ' CE1' ' ND ' ' A' ' 103' ' ' HEC . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 99.99 109.804 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 99.99 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 99.99 109.339 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.605 ' O1D' ' CD1' ' A' ' 41' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.533 ' CHC' ' HA ' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.535 ' C2D' ' HB3' ' A' ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 99.99 109.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.02 -49.26 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 99.99 109.313 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 99.99 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 99.99 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 99.99 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 99.99 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 99.99 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 99.99 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 99.99 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 99.99 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 99.99 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 99.99 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 99.99 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 99.99 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 99.99 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 99.99 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 42.2 t-80 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 99.99 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 99.99 109.349 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 99.99 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 99.99 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.658 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 99.99 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 99.99 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.509 ' CB ' ' CGD' ' A' ' 102' ' ' HEC . . . -68.36 -7.12 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 99.99 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -130.36 115.33 17.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 99.99 109.303 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.1 Cg_exo -32.04 -70.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.362 3.375 . . . . 99.99 109.623 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 27' ' ' CYS . 24.3 t0 -134.29 34.14 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 99.99 109.303 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.47 ' HB2' ' CMC' ' A' ' 101' ' ' HEC . 29.2 p 36.33 -142.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 99.99 108.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 80.88 -9.63 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 99.99 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 99.99 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 99.99 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 99.99 109.77 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 99.99 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 99.99 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 99.99 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 99.99 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 99.99 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 99.99 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 99.99 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 99.99 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 99.99 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 99.99 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 99.99 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 99.99 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 99.99 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 99.99 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 99.99 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 99.99 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.407 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 99.99 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 99.99 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 99.99 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.516 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 99.99 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 99.99 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 99.99 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 99.99 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 99.99 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 99.99 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 99.99 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 99.99 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 99.99 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 99.99 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 99.99 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 99.99 109.617 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 99.99 110.421 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 99.99 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 99.99 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 99.99 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 99.99 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 99.99 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 99.99 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 99.99 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 99.99 109.25 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.532 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.516 ' CHC' ' HA ' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.419 ' C2C' ' HB2' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 99.99 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.6 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 99.99 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 99.99 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 99.99 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 99.99 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 99.99 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 99.99 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 99.99 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 99.99 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 99.99 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 99.99 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 99.99 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 99.99 109.282 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 99.99 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CE1' ' C4B' ' A' ' 102' ' ' HEC . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 99.99 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 99.99 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 32.4 t-80 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 99.99 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 99.99 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 99.99 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 99.99 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 99.99 110.265 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 99.99 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' O ' ' HD3' ' A' ' 25' ' ' PRO . . . -131.32 -50.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 99.99 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.72 114.47 52.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 99.99 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 23' ' ' ALA . 78.0 Cg_exo -43.56 -63.22 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.267 3.311 . . . . 99.99 109.651 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' C ' ' N ' ' A' ' 28' ' ' LYS . 29.4 t0 -100.16 70.14 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 99.99 109.331 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -41.15 -29.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 99.99 108.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -51.52 -20.89 2.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 99.99 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 99.99 109.32 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 99.99 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 99.99 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 99.99 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 99.99 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 99.99 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 99.99 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 99.99 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 99.99 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 99.99 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 99.99 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 99.99 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 99.99 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 99.99 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HE2' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 99.99 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 99.99 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 99.99 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 99.99 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 99.99 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 99.99 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' NZ ' ' HE2' ' A' ' 57' ' ' GLU . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 99.99 109.264 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 99.99 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 99.99 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 99.99 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 99.99 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 99.99 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 99.99 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 99.99 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 99.99 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 99.99 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 99.99 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 99.99 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 99.99 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.522 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 99.99 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 99.99 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 99.99 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 99.99 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 99.99 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 99.99 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 99.99 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 99.99 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 99.99 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 99.99 109.349 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.498 ' CHC' ' SG ' ' A' ' 27' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.522 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.464 ' CGD' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.339 -0.615 . . . . 99.99 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -170.54 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.99 109.274 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 99.99 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 99.99 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 99.99 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' C ' ' O1D' ' A' ' 103' ' ' HEC . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 99.99 109.296 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 99.99 109.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 99.99 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 99.99 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 99.99 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 99.99 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 99.99 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 99.99 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 99.99 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CE1' ' C4B' ' A' ' 102' ' ' HEC . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 99.99 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 99.99 109.648 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 99.99 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 99.99 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 99.99 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 99.99 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 99.99 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 99.99 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.85 28.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 99.99 109.285 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -148.52 103.19 3.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 99.99 109.313 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -37.03 -29.73 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.295 3.33 . . . . 99.99 109.646 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -126.45 94.93 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 99.99 109.3 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' SG ' ' NE2' ' A' ' 21' ' ' GLN . 4.1 t -51.25 -23.84 3.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 99.99 108.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 20.2 11.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 99.99 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 26' ' ' ASP . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 99.99 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 99.99 108.341 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 99.99 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 99.99 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 99.99 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 99.99 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 99.99 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 99.99 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 99.99 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 99.99 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 99.99 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 99.99 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 99.99 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' CAD' ' A' ' 103' ' ' HEC . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 99.99 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 99.99 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 99.99 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 99.99 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 99.99 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 99.99 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 99.99 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 99.99 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 99.99 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 99.99 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 99.99 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 99.99 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 99.99 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 99.99 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 99.99 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 99.99 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 99.99 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 99.99 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 99.99 111.02 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 99.99 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.521 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.99 110.395 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 99.99 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 99.99 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 99.99 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 99.99 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 99.99 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 99.99 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.99 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 99.99 109.258 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.552 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.738 ' CAD' ' NZ ' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 99.99 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -88.76 -72.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 99.99 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 99.99 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 99.99 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 99.99 109.29 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 99.99 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 99.99 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 99.99 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 99.99 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 18.6 t30 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 99.99 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 99.99 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 99.99 109.258 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 99.99 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 99.99 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 17' ' ' HIS . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.99 111.027 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 99.99 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 99.99 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 99.99 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 99.99 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 99.99 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 99.99 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.28 2.92 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 99.99 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.4 t -125.2 81.14 63.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 99.99 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -36.18 -30.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.333 3.356 . . . . 99.99 109.582 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.4 t70 -130.4 86.73 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 99.99 109.33 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 38.1 t -56.06 165.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 99.99 108.25 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.6 mttm 89.69 24.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 99.99 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 99.99 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 99.99 108.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 99.99 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 99.99 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 99.99 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 99.99 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 99.99 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 99.99 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 99.99 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 99.99 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 99.99 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 99.99 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 99.99 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 99.99 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 99.99 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 99.99 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 99.99 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 99.99 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 99.99 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 99.99 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 99.99 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 99.99 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 99.99 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 99.99 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 99.99 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 99.99 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 99.99 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 99.99 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 99.99 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 99.99 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 99.99 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 99.99 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 99.99 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 99.99 109.586 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 99.99 110.416 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 99.99 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 99.99 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 99.99 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 99.99 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 99.99 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 99.99 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 99.99 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 99.99 109.322 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.502 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.519 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.432 ' CGA' ' HB3' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.35 -0.611 . . . . 99.99 109.35 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -71.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 99.99 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 99.99 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 99.99 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 99.99 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 99.99 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 99.99 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 99.99 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 99.99 109.325 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 99.99 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 99.99 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 99.99 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 99.99 109.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 99.99 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 99.99 110.987 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.431 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 99.99 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 99.99 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 99.99 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 99.99 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 99.99 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 99.99 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 99.99 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' CB ' ' O1D' ' A' ' 102' ' ' HEC . . . -145.76 17.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 99.99 109.227 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 3.5 t -152.62 96.4 2.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 99.99 109.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -35.41 -33.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.265 3.31 . . . . 99.99 109.639 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' LYS . 9.3 t0 -128.02 82.92 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 99.99 109.33 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -51.69 -20.44 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 99.99 108.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -76.66 4.4 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 99.99 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 99.99 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 99.99 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 99.99 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 99.99 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 99.99 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 99.99 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 99.99 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 99.99 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 99.99 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 99.99 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 99.99 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 99.99 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 99.99 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 99.99 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 99.99 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 99.99 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 99.99 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 99.99 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 99.99 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 99.99 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 99.99 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 99.99 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 99.99 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 99.99 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 99.99 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 99.99 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' CE1' ' NB ' ' A' ' 102' ' ' HEC . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 99.99 109.773 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 99.99 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 99.99 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 99.99 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 99.99 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 99.99 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 99.99 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.546 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 99.99 109.544 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.5 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 99.99 110.444 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 99.99 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 99.99 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 99.99 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 99.99 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 99.99 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 99.99 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 99.99 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 99.99 109.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HEC . . . . . 0.512 ' CMB' ' CBB' ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HEC . . . . . 0.546 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HEC . . . . . 0.605 ' C4D' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.927 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 1.0 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 1.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 1.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 1.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 1.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 1.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 1.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 1.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.415 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 1.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 1.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 1.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 1.0 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 1.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 1.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 1.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 1.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.858 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 1.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 1.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 1.0 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 1.0 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 1.0 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 1.0 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 1.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 1.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 1.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 1.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 1.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 1.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 1.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 1.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 1.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 1.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 1.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 1.0 109.633 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 1.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 1.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 1.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 1.0 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 1.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 1.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 1.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.844 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 1.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 1.0 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 49.5 t60 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 1.0 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 1.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.318 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 4.7 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 1.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 108.283 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' NE2' HD11 ' A' ' 38' ' ' ILE . 27.5 m170 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.757 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 1.0 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 1.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 1.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 36' ' ' GLY . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 1.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 1.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 1.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 1.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 1.0 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 1.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 1.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 1.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 1.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 1.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 1.0 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 110.419 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 1.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 65' ' ' CYS . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' CYS . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 1.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 109.352 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.824 HG13 ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 1.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.824 ' OD1' HG13 ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 1.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 1.0 109.567 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 1.0 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.342 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CE1' ' HE1' ' A' ' 15' ' ' PHE . 7.4 m-70 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.347 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.273 -0.639 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 1.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 108.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 1.0 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 1.0 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 1.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 1.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 1.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 1.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 1.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' CE ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 1.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 1.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 1.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 1.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 1.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 1.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 1.0 109.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 1.0 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 1.0 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 1.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 1.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 108.279 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 1.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 1.0 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 1.0 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 1.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 1.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 1.0 109.603 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 1.0 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 1.0 110.36 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 1.0 109.334 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' NE2' HD11 ' A' ' 38' ' ' ILE . 23.1 m170 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 1.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 1.0 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 1.0 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 1.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 1.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.561 HD11 ' NE2' ' A' ' 31' ' ' HIS . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 1.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 1.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 1.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 1.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 1.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 1.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 1.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.442 ' O ' ' NE2' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 1.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' LYS . 39.3 m-70 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 1.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 1.0 109.577 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.445 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 1.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 1.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 1.0 109.284 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 1.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 1.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.871 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 1.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 1.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 1.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 1.0 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' HIS . 73.3 t60 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 1.0 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.535 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 1.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 1.0 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.247 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.639 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.501 ' NE2' HD11 ' A' ' 38' ' ' ILE . 31.2 m170 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 1.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 1.0 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.516 ' HA3' ' HZ3' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' ' HA3' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 1.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 1.0 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 1.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 1.0 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 1.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 1.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 1.0 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.446 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 1.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 1.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 14' ' ' LYS . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 1.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 1.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 1.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 1.0 109.635 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 1.0 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 1.0 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 1.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 1.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 1.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 1.0 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 1.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 1.0 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 1.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 1.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 1.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 1.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 1.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 1.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 1.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 110.372 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 1.0 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 1.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 1.0 109.263 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.577 ' C ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.896 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 1.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 1.0 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 1.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 1.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 10.5 ttmt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' O ' ' C ' ' A' ' 32' ' ' GLU . 31.8 m170 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 1.0 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 1.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 1.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 38' ' ' ILE . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 1.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 1.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 1.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 1.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 1.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 1.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 1.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 1.0 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 1.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 1.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' CYS . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 1.0 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 1.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 1.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 1.0 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.986 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.986 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 1.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 1.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 1.0 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.82 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 1.0 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 1.0 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 1.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 1.0 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 1.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 1.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 1.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 1.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 1.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 1.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 1.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 1.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 1.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 1.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 1.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 1.0 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 1.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 1.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 1.0 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 1.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 1.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 1.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 109.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.953 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 11.9 p-10 -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.953 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 1.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 1.0 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 1.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 1.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 1.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 1.0 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 1.0 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 1.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 1.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 1.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 1.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 1.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 1.0 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 1.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 1.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 1.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 1.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.0 110.468 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 1.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 1.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 1.0 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 1.0 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 1.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 1.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.481 HG13 ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.957 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.957 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.481 ' OD2' HG13 ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 1.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HG2' ' HB3' ' A' ' 19' ' ' ALA . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 1.0 109.587 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 1.0 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 1.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.463 ' CE1' ' HE1' ' A' ' 15' ' ' PHE . 6.6 m-70 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 1.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.31 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.749 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 1.0 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 1.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 1.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 1.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 1.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 1.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 1.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 1.0 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 1.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 1.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.4 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 1.0 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.0 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 1.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 1.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.235 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.928 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 1.0 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 1.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 1.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 1.0 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 1.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 1.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 1.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 1.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 1.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 1.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 51' ' ' CYS . 22.7 m-70 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 1.0 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.433 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 1.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 1.0 109.597 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.418 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 1.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 1.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 1.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 1.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.679 HG13 ' OD1' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 1.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.99 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 1.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.679 ' OD1' HG13 ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 1.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 1.0 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 1.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 1.0 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 1.0 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 1.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 1.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 1.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 1.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 1.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 1.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 1.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 1.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 51' ' ' CYS . 23.9 m-70 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 1.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 1.0 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 1.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 1.0 109.568 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 1.0 110.377 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 1.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 1.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 1.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 1.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 1.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 1.0 109.635 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 1.0 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.379 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 1.0 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 1.0 108.278 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 1.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 1.0 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 1.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 1.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 1.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 1.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 1.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 1.0 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 1.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 1.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 1.0 108.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 51' ' ' CYS . 27.8 m-70 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 1.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 1.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 1.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 1.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 1.0 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 1.0 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 1.0 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 1.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 1.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 1.0 109.624 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 1.0 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 1.0 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 1.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 1.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 1.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 1.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 1.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 1.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.89 ' CG ' HG22 ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 1.0 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 51' ' ' CYS . 24.3 m-70 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 1.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 1.0 109.584 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.89 HG22 ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 1.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 1.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 1.0 109.804 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 1.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 1.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 1.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 1.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' HB2' HG13 ' A' ' 4' ' ' ILE . 60.0 t60 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 1.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 1.0 109.349 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 1.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.541 ' NE2' ' HA ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 1.0 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.77 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 1.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 1.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 1.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 1.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 1.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 1.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 1.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 1.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 1.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 1.0 109.617 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 110.421 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 1.0 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 1.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 1.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 1.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 1.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 1.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 1.0 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' HIS . 62.8 t60 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 1.0 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 1.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.327 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 1.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 1.0 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 1.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 1.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 1.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 1.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 1.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 1.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 1.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 1.0 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 1.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 1.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.405 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 1.0 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 1.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 1.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 1.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 1.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 1.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.842 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 1.0 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 1.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 1.0 109.648 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 1.0 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 1.0 109.285 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 1.0 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 1.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 1.0 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 1.0 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 1.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 1.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 1.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 1.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 1.0 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.54 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.54 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 1.0 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 110.395 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 1.0 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 1.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 1.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.258 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG13 ' OD1' ' A' ' 12' ' ' ASP . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.92 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 1.0 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 23.9 t-20 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.92 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 1.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.722 ' OD1' HG13 ' A' ' 5' ' ' VAL . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 1.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 1.0 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 1.0 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 1.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mttm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 1.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 108.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 1.0 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 1.0 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 1.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 1.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 1.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 1.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 1.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 1.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 1.0 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 1.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 1.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 1.0 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 1.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 1.0 109.586 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 1.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 1.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 1.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 1.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 1.0 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 1.0 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.227 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 1.0 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 1.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 1.0 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 1.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 1.0 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 1.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 1.0 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 1.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 1.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 1.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 1.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.773 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 1.0 109.544 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 1.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 1.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 1.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.4 m-20 85.89 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.499 HD11 ' O1A' ' A' ' 101' ' ' HEC . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.927 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 1.0 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.815 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 1.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CMD' ' A' ' 102' ' ' HEC . . . 64.8 11.76 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 22' ' ' LYS . 1.6 t -126.22 137.13 29.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.5 Cg_exo -29.59 -67.91 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.323 3.348 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' CYS . 16.0 t0 -161.52 44.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 9.9 t 54.14 172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 1.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.1 mtpt 83.31 19.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 1.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 1.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 1.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' CD ' ' O2D' ' A' ' 101' ' ' HEC . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 1.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 1.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 1.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 1.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.415 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 1.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 1.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 1.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 1.0 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.433 ' HG2' HMD3 ' A' ' 102' ' ' HEC . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.692 ' CE ' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 1.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.465 ' O ' HMC2 ' A' ' 103' ' ' HEC . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.668 ' O ' HMC3 ' A' ' 103' ' ' HEC . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 1.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 1.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.565 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 1.046 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.692 HMD1 ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.883 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 66.56 -54.87 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 1' ' ' ALA . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.496 ' CD1' ' O1A' ' A' ' 101' ' ' HEC . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 1.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.858 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 1.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 1.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 1.0 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 1.0 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 24' ' ' VAL . . . -155.55 39.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 1.7 t -152.44 128.71 5.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.377 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -79.74 21.12 0.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.34 3.36 . . . . 1.0 109.596 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.5 t70 174.44 82.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.503 ' HA ' HMC3 ' A' ' 101' ' ' HEC . 0.6 OUTLIER -48.85 -27.32 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 1.0 108.342 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -66.27 -11.12 48.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 1.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 1.0 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 1.0 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 1.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 1.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 1.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 1.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 1.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 1.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 1.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 1.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 1.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 1.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 1.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.682 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 1.0 109.633 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.495 ' O ' HMC2 ' A' ' 103' ' ' HEC . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 1.0 110.448 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 1.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 1.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 1.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 1.0 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 1.012 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.682 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.852 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 68.47 -65.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 1.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 1.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 1.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.844 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 1.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 1.0 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 48.2 t-80 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 1.0 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 1.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 12.24 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HMC2 ' A' ' 101' ' ' HEC . 6.5 t -112.68 137.33 21.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.4 Cg_exo -29.18 -69.44 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.349 3.366 . . . . 1.0 109.557 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.8 t0 -152.73 43.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 2.0 t 45.0 -168.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 108.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 4.7 tttt 69.59 7.27 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD3' HBC1 ' A' ' 102' ' ' HEC . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 1.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 108.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.648 ' HE1' HD11 ' A' ' 38' ' ' ILE . 41.6 m-70 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.757 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 1.0 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 1.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 1.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.669 HD13 HBD1 ' A' ' 101' ' ' HEC . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 1.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 1.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 1.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 1.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 1.0 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 1.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 1.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 1.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 1.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 1.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HE3' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 1.0 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.5 ' O ' HMC2 ' A' ' 103' ' ' HEC . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 110.419 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.803 ' O ' HMC3 ' A' ' 103' ' ' HEC . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 1.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 65' ' ' CYS . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.758 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 1.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 109.352 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 1.047 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.758 HMB3 ' SG ' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.878 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.62 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.824 HG13 ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' CBD' ' A' ' 103' ' ' HEC . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 1.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.824 ' OD1' HG13 ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG11 HMD3 ' A' ' 103' ' ' HEC . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 1.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.634 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 1.0 109.567 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 1.0 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.342 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 8.5 m80 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.45 58.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.3 t -129.38 80.88 71.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 1.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.2 Cg_exo -30.02 -38.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.328 3.352 . . . . 1.0 109.575 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.641 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.7 t70 -138.52 85.35 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.805 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 31.4 p -48.6 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 1.0 108.322 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 42.1 tttt 102.14 -11.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 1.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 108.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 1.0 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 1.0 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 1.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 1.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 1.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 1.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 1.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' HZ2' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 1.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 1.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 1.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 1.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 1.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 1.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 1.0 109.59 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 1.0 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 1.0 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 1.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 1.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.828 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 108.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 1.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.955 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.828 HMB3 ' SG ' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.919 HBC3 HMC1 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.322 -0.621 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -45.95 -25.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 1.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 1.0 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 1.0 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 1.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 1.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 1.0 109.603 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 1.0 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 1.0 110.36 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.79 -0.8 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 1.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.6 t -126.86 123.69 23.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.52 -70.04 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.241 3.294 . . . . 1.0 109.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' CYS . 27.3 t0 -142.33 48.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 109.246 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.727 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.0 m 39.79 -139.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 108.284 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 11.1 ttmm 71.28 4.85 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.757 ' CE1' HD11 ' A' ' 38' ' ' ILE . 34.2 m-70 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 1.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 1.0 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 1.0 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 1.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 1.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 1.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 1.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 1.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HD3' HAD1 ' A' ' 103' ' ' HEC . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 1.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 1.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 1.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 1.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.641 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 1.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.641 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.6 m80 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.688 ' CE ' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 1.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.627 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 1.0 109.577 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.582 ' O ' HMC2 ' A' ' 103' ' ' HEC . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.445 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 1.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 1.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.769 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.688 HMD1 ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.913 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.24 -57.48 0.33 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 1.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 1.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 1.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.871 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 1.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 1.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 1.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 1.0 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.549 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 36.5 t-80 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 1.0 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.535 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.549 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 1.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 1.0 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -140.7 18.8 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.402 HG21 HBC2 ' A' ' 102' ' ' HEC . 75.8 t -151.08 98.77 3.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -36.87 -58.93 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 1.0 109.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 28' ' ' LYS . 18.1 t0 -105.21 69.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.508 ' CA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.19 -27.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm -51.6 -21.31 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.614 ' HD2' HBC1 ' A' ' 102' ' ' HEC . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.701 ' CE1' HD11 ' A' ' 38' ' ' ILE . 54.3 m-70 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 1.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 1.0 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.516 ' HA3' ' HZ3' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' ' HA3' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.701 HD11 ' CE1' ' A' ' 31' ' ' HIS . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 1.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CHA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 1.0 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 1.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HD2' HMC2 ' A' ' 103' ' ' HEC . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 1.0 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 1.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 1.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.734 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 1.0 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.576 ' O ' HMC2 ' A' ' 103' ' ' HEC . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 1.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 1.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.986 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.734 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.868 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.58 -73.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 14' ' ' LYS . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 1.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB2' HBD2 ' A' ' 103' ' ' HEC . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 1.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 1.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 1.0 109.635 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 1.0 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 1.0 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 1.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB2' ' O1D' ' A' ' 102' ' ' HEC . . . -121.7 7.52 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.79 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.0 t -119.61 87.64 37.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -34.23 -32.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.315 3.344 . . . . 1.0 109.659 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' VAL . 16.4 t0 -145.66 99.95 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.371 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.726 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -53.21 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 108.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 71.99 19.72 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HD2' HBC1 ' A' ' 102' ' ' HEC . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 1.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 1.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 1.0 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 1.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 1.0 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 1.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 1.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 1.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 1.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 1.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 1.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.934 ' SD ' HMD3 ' A' ' 102' ' ' HEC . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 1.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 1.048 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.643 ' O ' HMC2 ' A' ' 103' ' ' HEC . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.774 ' O ' HMC3 ' A' ' 103' ' ' HEC . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 1.0 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 1.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 1.0 109.263 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.89 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 1.048 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.9 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.78 30.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 1.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' CGA' ' A' ' 103' ' ' HEC . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.577 ' C ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.896 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 1.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 1.0 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 1.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.72 -4.83 36.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 1.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.7 OUTLIER -127.1 111.38 21.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 9.8 Cg_exo -31.32 -67.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.265 3.31 . . . . 1.0 109.634 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 27' ' ' CYS . 2.9 t70 -135.06 36.54 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 109.269 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 28.5 p 31.6 -135.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 1.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.5 ttmt 75.55 -6.22 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 1.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 27' ' ' CYS . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HE1' HD11 ' A' ' 38' ' ' ILE . 55.6 m-70 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 1.0 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 1.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 1.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.573 HD12 HBD1 ' A' ' 101' ' ' HEC . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 1.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 1.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 1.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 1.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 1.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 1.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 1.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.742 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 1.0 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.777 ' O ' HMC3 ' A' ' 103' ' ' HEC . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 1.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 1.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.502 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' CYS . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 1.0 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 1.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.947 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.939 HBB2 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.808 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -58.22 6.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 1.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 1.0 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.986 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.986 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 1.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.752 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 1.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 1.0 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.7 m80 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.82 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 1.0 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' CB ' ' O2D' ' A' ' 102' ' ' HEC . . . -73.02 -5.03 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 1.6 t -123.36 114.84 28.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' VAL . 9.3 Cg_exo -31.94 -69.75 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 124.377 3.385 . . . . 1.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.8 t70 -134.34 35.16 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.868 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 29.6 p 34.66 -139.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 26' ' ' ASP . 17.2 mtpt 76.27 -5.37 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 1.0 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 1.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 1.0 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 1.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 1.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 1.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 1.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 1.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 1.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 1.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 1.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 1.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HE2' HMC2 ' A' ' 103' ' ' HEC . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 1.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 1.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HE3' HMD1 ' A' ' 102' ' ' HEC . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 1.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.942 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 1.0 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.694 ' O ' HMC3 ' A' ' 103' ' ' HEC . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 1.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 1.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 1.0 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 1.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.919 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.942 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.874 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.25 3.26 7.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 1.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 1.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.953 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HB3' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 11.9 p-10 -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.953 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 1.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 1.0 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 1.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 1.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 1.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.6 6.87 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.3 t -119.71 85.21 32.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.8 Cg_exo -33.29 -33.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.296 3.331 . . . . 1.0 109.598 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t70 -138.48 96.83 3.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 1.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.0 t -58.96 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 13.4 ttmt 85.4 -3.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 1.0 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 1.0 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 1.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 1.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 1.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 1.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 1.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 1.0 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 1.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 1.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 1.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 1.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.579 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.587 ' O ' HMC2 ' A' ' 103' ' ' HEC . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.0 110.468 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' O ' HMC3 ' A' ' 103' ' ' HEC . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 1.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 1.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 1.0 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 1.0 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 1.049 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.644 HMB1 HBB3 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.89 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.6 m-20 88.16 -39.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 1.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 1.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.481 HG13 ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.957 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.957 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.481 ' OD2' HG13 ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 1.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HG2' ' HB3' ' A' ' 19' ' ' ALA . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 1.0 109.587 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 1.0 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 1.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 8.1 m80 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 1.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.98 22.5 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 40.4 t -147.13 94.67 4.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -36.15 -55.09 0.79 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.377 3.385 . . . . 1.0 109.551 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' LYS . 21.6 t0 -107.48 69.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.323 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.37 -28.2 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 1.0 108.307 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -50.49 -23.27 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 1.0 109.353 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' C4B' ' A' ' 101' ' ' HEC . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.749 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 1.0 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 1.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 1.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 1.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 1.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 1.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 1.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 1.0 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 1.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.8 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 1.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.537 ' O ' HMC2 ' A' ' 103' ' ' HEC . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 1.0 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.0 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 1.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' HB2' ' C2C' ' A' ' 103' ' ' HEC . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.972 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.8 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.892 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 65.27 -61.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 1.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB2' ' O1A' ' A' ' 103' ' ' HEC . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.928 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.887 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 1.0 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' O1D' ' A' ' 102' ' ' HEC . . . -118.43 0.74 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.3 OUTLIER -126.4 80.89 68.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -35.72 -30.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.367 3.378 . . . . 1.0 109.577 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' VAL . 9.0 t0 -125.14 77.02 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 1.0 109.315 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 10.8 t -50.42 166.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 108.241 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 90.0 6.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 108.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 1.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 1.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 1.0 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 1.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 1.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 1.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 1.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 1.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 1.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.2 m170 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 1.0 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.634 ' SD ' HMD3 ' A' ' 102' ' ' HEC . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 1.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.798 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 1.0 109.597 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.607 ' O ' HMC2 ' A' ' 103' ' ' HEC . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.418 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.689 ' O ' HMC3 ' A' ' 103' ' ' HEC . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 1.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 1.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 1.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 1.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.987 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.887 HBB2 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.905 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 67.92 -67.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 1' ' ' ALA . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' O2D' ' A' ' 101' ' ' HEC . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.679 HG13 ' OD1' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 1.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.99 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 1.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.679 ' OD1' HG13 ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 1.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG11 HMD3 ' A' ' 103' ' ' HEC . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 1.0 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 1.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.9 15.43 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.1 OUTLIER -142.0 92.09 7.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -37.22 -30.0 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.328 3.352 . . . . 1.0 109.532 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' VAL . 17.8 t70 -134.42 96.47 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.299 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.9 OUTLIER -53.27 -25.45 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt -63.57 -16.45 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 1.0 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 1.0 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 1.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 1.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 1.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 1.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG3' HAD1 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 1.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 1.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 1.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 1.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.4 m170 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 1.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 1.0 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 1.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 1.0 109.568 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 ' O ' HMC2 ' A' ' 103' ' ' HEC . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 1.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.704 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 1.0 109.357 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 1.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.974 HMC2 HG21 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.519 ' C2C' HBC1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.931 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -142.99 -46.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' CB ' ' O2A' ' A' ' 103' ' ' HEC . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 1.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 1.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 1.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 1.0 109.635 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 1.0 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.379 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 1.0 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.23 1.73 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -130.09 74.55 80.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -43.32 -26.18 0.88 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.269 3.313 . . . . 1.0 109.572 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -124.54 71.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 9.7 t -43.16 166.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER 88.99 19.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 1.0 108.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 1.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 1.0 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 1.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 1.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 1.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 1.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' CE ' HAD1 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 1.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.653 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 1.0 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 1.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 1.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 1.0 108.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.7 m170 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 1.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 1.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 1.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.777 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 1.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.494 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 110.411 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 1.0 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 1.0 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 1.0 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.983 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.777 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.893 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -158.82 -58.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 1.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 1.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 1.0 109.624 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 1.0 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 1.0 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.61 10.68 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.1 OUTLIER -136.81 86.72 21.07 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.7 Cg_exo -33.17 -46.25 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 124.317 3.345 . . . . 1.0 109.632 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -123.83 100.63 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.267 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.737 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -52.23 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 108.383 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt 71.45 18.28 5.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.564 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 108.329 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 1.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 1.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 1.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 1.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 1.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' ' O1D' ' A' ' 101' ' ' HEC . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.699 ' HB1' ' C1D' ' A' ' 103' ' ' HEC . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 1.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.89 ' CG ' HG22 ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 1.0 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.633 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 12.2 m80 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 1.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.741 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 1.0 109.584 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.89 HG22 ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 1.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 1.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 1.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 1.0 109.804 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 1.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.837 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.741 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.902 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.02 -49.26 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 1.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.557 ' HB2' HBD2 ' A' ' 103' ' ' HEC . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 1.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 1.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 42.2 t-80 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 1.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 1.0 109.349 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 1.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.541 ' NE2' ' HA ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 1.0 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB2' ' O2D' ' A' ' 102' ' ' HEC . . . -68.36 -7.12 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.6 OUTLIER -130.36 115.33 17.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.1 Cg_exo -32.04 -70.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.362 3.375 . . . . 1.0 109.623 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 27' ' ' CYS . 24.3 t0 -134.29 34.14 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.854 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 29.2 p 36.33 -142.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 80.88 -9.63 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.77 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 1.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 1.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 1.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 1.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 1.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 1.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 1.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.512 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 1.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 1.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 1.0 109.617 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.495 ' O ' HMC2 ' A' ' 103' ' ' HEC . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 110.421 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 1.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 1.0 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 1.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 1.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.975 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.75 ' O2D' ' HB2' ' A' ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.872 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.6 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 1.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 1.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 1.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 1.0 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' HIS . 32.4 t-80 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 1.0 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 tt0 -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 1.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.32 -50.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.72 114.47 52.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.56 -63.22 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.267 3.311 . . . . 1.0 109.651 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' C ' ' N ' ' A' ' 28' ' ' LYS . 29.4 t0 -100.16 70.14 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' CA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -41.15 -29.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -51.52 -20.89 2.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.632 ' HD3' HBC1 ' A' ' 102' ' ' HEC . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 1.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 1.0 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 1.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 1.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 1.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 1.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 1.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 1.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 1.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 1.0 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 1.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 1.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 1.0 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 1.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' HMC3 ' A' ' 103' ' ' HEC . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 1.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 1.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 1.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 1.001 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.798 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.339 -0.615 . . . . 1.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -170.54 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' C ' ' O1D' ' A' ' 103' ' ' HEC . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 1.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.842 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 1.0 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 1.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG11 HMD3 ' A' ' 103' ' ' HEC . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 1.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CE1' ' C4B' ' A' ' 102' ' ' HEC . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 1.0 109.648 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 1.0 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -152.85 28.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 1.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -148.52 103.19 3.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -37.03 -29.73 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.295 3.33 . . . . 1.0 109.646 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -126.45 94.93 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.1 t -51.25 -23.84 3.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 1.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 20.2 11.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 26' ' ' ASP . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 108.341 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 1.0 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 1.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 1.0 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 1.0 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 1.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 1.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' CAD' ' A' ' 103' ' ' HEC . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 1.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 1.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 1.0 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.54 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.54 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.86 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 1.0 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.539 ' O ' HMC2 ' A' ' 103' ' ' HEC . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.617 ' O ' HMC3 ' A' ' 103' ' ' HEC . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 1.0 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 1.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 1.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.258 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.596 HBC1 HMC2 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.863 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -88.76 -72.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG13 ' OD1' ' A' ' 12' ' ' ASP . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.92 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 1.0 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 23.9 t-20 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.92 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 1.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.722 ' OD1' HG13 ' A' ' 5' ' ' VAL . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 1.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 1.0 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 1.0 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 1.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.28 2.92 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.4 t -125.2 81.14 63.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -36.18 -30.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.333 3.356 . . . . 1.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.4 t70 -130.4 86.73 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 38.1 t -56.06 165.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 1.0 108.25 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.6 mttm 89.69 24.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 1.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 108.261 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 1.0 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 1.0 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 1.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 1.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 1.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 1.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 1.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 1.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 1.0 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 1.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 1.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 1.0 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 1.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 1.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' HMC2 ' A' ' 103' ' ' HEC . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 110.416 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.652 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 1.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 1.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.522 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.988 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.545 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.886 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -71.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.625 HD11 ' O1A' ' A' ' 101' ' ' HEC . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 1.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 1.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' HMB2 ' A' ' 102' ' ' HEC . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 1.0 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 1.0 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -145.76 17.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.227 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 3.5 t -152.62 96.4 2.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -35.41 -33.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.265 3.31 . . . . 1.0 109.639 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' LYS . 9.3 t0 -128.02 82.92 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.33 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.642 ' HA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -51.69 -20.44 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 1.0 108.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.66 4.4 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 1.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 1.0 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 1.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 1.0 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 1.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 1.0 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 1.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 1.0 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 1.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 1.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 1.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 1.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' CE1' ' NB ' ' A' ' 102' ' ' HEC . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.773 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG2' HMD3 ' A' ' 102' ' ' HEC . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.889 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 1.0 109.544 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' HMC2 ' A' ' 103' ' ' HEC . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 1.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.656 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 1.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 1.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HEC . . . . . 0.991 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HEC . . . . . 0.889 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HEC . . . . . 0.861 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.927 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 1.0 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 1.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 1.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 1.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 1.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 1.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 1.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 1.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 1.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.415 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 1.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 1.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 1.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 1.0 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 1.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.443 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 1.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 1.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 1.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.858 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 1.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 1.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 1.0 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 1.0 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 1.0 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 1.0 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 1.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 1.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 1.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 1.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 1.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 1.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 1.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 1.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 1.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 1.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 1.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 1.0 109.633 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 1.0 110.448 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 1.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 1.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 1.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 1.0 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 1.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 1.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 1.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.844 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 1.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 1.0 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 48.2 t-80 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 1.0 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 1.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.318 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 4.7 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 1.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 108.283 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.648 ' HE1' HD11 ' A' ' 38' ' ' ILE . 41.6 m-70 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.757 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 1.0 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 1.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 1.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' ' 31' ' ' HIS . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 1.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 1.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 1.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 1.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 1.0 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 1.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 1.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 1.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 1.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 1.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 1.0 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 110.419 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 1.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 65' ' ' CYS . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 65' ' ' CYS . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 1.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 109.352 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.824 HG13 ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 1.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.824 ' OD1' HG13 ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 1.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' CZ ' ' CD2' ' A' ' 20' ' ' HIS . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 1.0 109.567 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 1.0 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.342 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 8.5 m80 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.347 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.273 -0.639 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 1.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 108.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 1.0 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 1.0 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 1.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 1.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 1.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 1.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 1.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' CE ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 1.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 1.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 1.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 1.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 1.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 1.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 1.0 109.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 1.0 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 1.0 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 1.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 1.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 108.279 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 1.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 1.0 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 1.0 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 1.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 1.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 1.0 109.603 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 1.0 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 1.0 110.36 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 1.0 109.334 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.757 ' CE1' HD11 ' A' ' 38' ' ' ILE . 34.2 m-70 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 1.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 1.0 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 1.0 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 1.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 1.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 1.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 1.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 1.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 1.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 1.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 1.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 1.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.641 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 1.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.641 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.6 m80 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 1.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 1.0 109.577 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.445 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 1.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 1.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.284 -0.636 . . . . 1.0 109.284 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 1.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 1.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.871 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 1.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 1.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 1.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 1.0 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.703 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 36.5 t-80 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 1.0 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 1.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 1.0 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.247 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.273 -0.639 . . . . 1.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' LYS . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.701 ' CE1' HD11 ' A' ' 38' ' ' ILE . 54.3 m-70 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 1.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 1.0 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.516 ' HA3' ' HZ3' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' ' HA3' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.701 HD11 ' CE1' ' A' ' 31' ' ' HIS . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 1.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 1.0 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 1.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' GLY . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 1.0 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 1.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 1.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 1.0 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.446 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 1.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 1.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 14' ' ' LYS . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 1.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 1.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 1.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 1.0 109.635 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 1.0 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 1.0 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 1.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 1.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 1.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 1.0 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 1.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 1.0 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 1.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 1.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 1.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 1.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 1.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 1.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 1.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 110.372 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 1.0 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 1.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 1.0 109.263 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.269 -0.641 . . . . 1.0 109.269 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.496 HD21 ' CE1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.896 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 1.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 1.0 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 1.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 1.0 109.31 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 10.5 ttmt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HE1' HD11 ' A' ' 38' ' ' ILE . 55.6 m-70 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 1.0 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 1.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 1.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 HD11 ' HE1' ' A' ' 31' ' ' HIS . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 1.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 1.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 1.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 1.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 1.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 1.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 1.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 1.0 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 1.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 1.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.496 ' CE1' HD21 ' A' ' 10' ' ' ASN . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 1.0 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 1.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 1.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 1.0 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.986 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.986 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 1.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CZ ' ' CD2' ' A' ' 20' ' ' HIS . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 1.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 1.0 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.7 m80 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.82 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 1.0 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 1.0 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 1.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 1.0 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 1.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 1.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 1.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 1.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 1.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 1.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 1.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 1.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 1.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLY . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 1.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 1.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.474 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 1.0 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 1.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 1.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 1.0 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 1.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 1.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 1.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 109.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.953 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 109.33 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.953 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 1.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 1.0 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 1.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 1.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 1.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 108.311 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 1.0 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 1.0 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 1.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 1.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 1.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 1.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 1.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 1.0 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 1.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 1.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 1.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 1.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.0 110.468 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 1.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 1.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 1.0 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 1.0 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 1.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 1.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.481 HG13 ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.957 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.957 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.481 ' OD2' HG13 ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 1.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HG2' ' HB3' ' A' ' 19' ' ' ALA . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 1.0 109.587 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 1.0 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 1.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 8.1 m80 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 1.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.31 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.749 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 1.0 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 1.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 1.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 1.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 1.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 1.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 1.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 1.0 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 1.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 1.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.4 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 1.0 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.0 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 1.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 1.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.235 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.928 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 1.0 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.343 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 108.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 1.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 1.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 1.0 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 1.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 1.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 1.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 1.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 1.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 1.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.2 m170 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 1.0 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.433 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 1.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 1.0 109.597 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.418 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 1.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 1.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 1.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 1.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.679 HG13 ' OD1' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 1.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.99 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 1.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.679 ' OD1' HG13 ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 1.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 1.0 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 1.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 1.0 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 1.0 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 1.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 1.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 1.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 1.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 1.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 1.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 1.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 1.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.4 m170 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 1.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 1.0 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 1.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 1.0 109.568 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 1.0 110.377 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 1.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 1.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 1.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 1.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 1.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 1.0 109.635 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 1.0 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.379 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 1.0 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 1.0 108.278 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 1.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 1.0 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 1.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 1.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 1.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 1.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 1.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.653 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 1.0 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 1.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 1.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 1.0 108.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.7 m170 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 1.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 1.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 1.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 1.0 109.568 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 110.411 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 1.0 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 1.0 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 1.0 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.283 -0.636 . . . . 1.0 109.283 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' LYS . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 1.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 1.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HE1' ' CE1' ' A' ' 20' ' ' HIS . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 1.0 109.624 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 1.0 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 1.0 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 108.329 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 1.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 1.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 1.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 1.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 1.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 1.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.633 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.89 ' CG ' HG22 ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 1.0 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.633 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 12.2 m80 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 1.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 1.0 109.584 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.89 HG22 ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 1.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 1.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 1.0 109.804 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 1.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 1.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 1.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 1.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 42.2 t-80 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 1.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 1.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 1.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.658 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 1.0 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.77 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 1.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 1.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 1.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 1.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 1.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 1.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 1.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 1.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 1.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 1.0 109.617 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 110.421 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 1.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 1.0 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 1.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 1.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 1.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 1.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 1.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 1.0 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 32.4 t-80 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 1.0 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 1.0 110.265 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.327 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 1.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 1.0 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 1.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 1.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 1.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 1.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 1.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 1.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 1.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 1.0 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 1.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 1.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.405 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 1.0 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 1.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 1.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 1.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 1.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 1.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.842 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 1.0 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 1.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 1.0 109.648 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 1.0 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 1.0 109.285 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 1.0 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 1.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 1.0 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 1.0 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 1.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 1.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 1.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 1.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 1.0 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.54 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.54 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' CB ' ' HB3' ' A' ' 67' ' ' GLU . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 1.0 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 110.395 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 1.0 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 1.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 1.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.258 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG13 ' OD1' ' A' ' 12' ' ' ASP . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.92 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 1.0 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 18.6 t30 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.92 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 1.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.722 ' OD1' HG13 ' A' ' 5' ' ' VAL . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 1.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 1.0 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 1.0 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 1.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mttm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 1.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 108.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 1.0 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 1.0 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 1.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 1.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 1.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 1.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 1.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 1.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 1.0 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 1.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 1.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 1.0 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 1.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 1.0 109.586 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 110.416 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 1.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 1.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 1.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 1.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 1.0 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 1.0 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.227 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 1.0 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 1.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 1.0 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 1.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 1.0 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 1.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 1.0 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 1.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 1.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 1.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 1.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.773 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 1.0 109.544 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 1.0 110.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 1.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 1.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.554 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 3.4 m-20 85.89 -42.69 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -115.61 122.55 45.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.499 HD11 ' O1A' ' A' ' 101' ' ' HEC . 4.5 mt -104.41 109.3 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 124.67 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.7 mt -105.24 78.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.84 119.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.74 148.91 47.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -11.15 59.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.46 ' ND2' ' O1A' ' A' ' 103' ' ' HEC . 69.1 m-80 -129.4 58.41 1.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 1.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.927 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.6 135.22 5.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.11 169.05 18.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 0.749 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -127.45 121.69 57.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -95.37 96.74 9.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 1.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 91.7 t80 -114.25 120.64 37.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 89.2 Cg_endo -84.91 101.64 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.333 3.355 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 20' ' ' HIS . 64.0 t-80 -69.17 -65.46 0.71 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.138 0.899 . . . . 1.0 109.777 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -40.7 -29.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -80.03 -46.07 17.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.8 m80 -72.94 -3.52 26.39 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -59.15 -14.97 12.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.815 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -121.04 -159.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 1.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' CMD' ' A' ' 102' ' ' HEC . . . 64.8 11.76 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 22' ' ' LYS . 1.6 t -126.22 137.13 29.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.5 Cg_exo -29.59 -67.91 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.323 3.348 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 27' ' ' CYS . 16.0 t0 -161.52 44.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 9.9 t 54.14 172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 1.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.1 mtpt 83.31 19.42 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 1.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 5.9 ttmt -92.59 -45.19 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.4 m -87.57 -54.62 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 1.0 108.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 87.3 m-70 -59.92 -45.69 91.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 13.5 tt0 85.62 32.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 1.3 tttt 81.19 82.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 1.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 136.75 118.9 1.79 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 1.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 81.0 Cg_endo -73.68 -160.5 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.278 3.319 . . . . 1.0 109.587 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.74 -173.67 49.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 1.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' CD ' ' O2D' ' A' ' 101' ' ' HEC . 6.5 mmtt -63.29 128.48 36.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 1.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' ILE . 17.0 mt -76.65 93.41 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 1.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER 34.27 -141.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -98.9 52.81 1.1 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 1.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' GLY . 67.1 t80 -36.26 101.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 1.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.0 170.23 30.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 1.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.23 -30.91 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.9 OUTLIER -68.9 -40.21 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.415 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.47 -37.79 82.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 1.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.21 -63.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 1.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.34 -10.72 53.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.794 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.33 -131.85 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 1.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -106.76 48.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 1.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.83 34.03 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 1.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 177.74 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' GLY . 7.8 ttpp -87.89 -55.35 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.44 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 1.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -53.44 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 13.3 m80 -40.7 -47.13 2.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.023 -0.99 . . . . 1.0 109.791 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -48.89 -33.69 11.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.3 OUTLIER -102.37 -44.37 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.433 ' HG2' HMD3 ' A' ' 102' ' ' HEC . 0.4 OUTLIER -56.03 -18.9 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 110.997 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt 62.84 12.97 6.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.692 ' CE ' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -135.92 131.33 35.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 169.0 14.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 1.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 86.5 Cg_endo -92.63 146.27 2.65 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.591 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.465 ' O ' HMC2 ' A' ' 103' ' ' HEC . 53.3 p -119.0 -12.91 9.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.668 ' O ' HMC3 ' A' ' 103' ' ' HEC . 1.2 mttm -65.62 156.35 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -70.26 -60.03 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 108.307 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.91 -22.74 0.49 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.438 1.086 . . . . 1.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 72.5 mm-40 -76.44 -39.79 52.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 1.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.565 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.7 m -92.92 -53.79 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 1.0 108.25 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -84.69 132.79 34.42 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.76 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.54 149.18 29.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 1.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.046 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.692 HMD1 ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.883 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.342 -0.614 . . . . 1.0 109.342 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 66.56 -54.87 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 1' ' ' ALA . 3.0 t70 -97.86 132.45 43.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.496 ' CD1' ' O1A' ' A' ' 101' ' ' HEC . 3.1 mt -116.71 112.56 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.9 t -85.54 122.39 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 7' ' ' LYS . 17.8 mt -98.57 82.38 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 1.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 6' ' ' LEU . 14.6 mttt -35.46 113.07 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.57 163.51 15.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 1.0 109.281 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.36 -22.33 21.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.065 . . . . 1.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.3 t30 -126.91 66.99 1.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 1.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.858 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 88.39 136.43 5.45 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.552 1.158 . . . . 1.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 169.87 17.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 1.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.69 107.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 1.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -80.55 88.59 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 50.3 t80 -102.08 119.67 55.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 1.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 95.9 Cg_endo -84.97 97.58 0.66 Allowed 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 124.258 3.305 . . . . 1.0 109.521 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' HIS . 43.3 t-80 -65.22 -56.84 10.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.176 0.923 . . . . 1.0 109.761 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -47.59 -32.81 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.335 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 16' ' ' PRO . . . -73.79 -38.89 64.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 19.4 m80 -83.67 13.42 4.69 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.736 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -102.32 11.62 37.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 110.367 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -157.6 45.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' C ' ' CG2' ' A' ' 24' ' ' VAL . . . -155.55 39.4 0.39 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 1.7 t -152.44 128.71 5.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.377 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -79.74 21.12 0.81 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.34 3.36 . . . . 1.0 109.596 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.5 t70 174.44 82.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 1.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.503 ' HA ' HMC3 ' A' ' 101' ' ' HEC . 0.6 OUTLIER -48.85 -27.32 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 1.0 108.342 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -66.27 -11.12 48.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 1.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -50.13 -58.41 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.34 -43.26 17.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 1.0 108.26 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -95.55 61.99 2.34 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.072 -0.967 . . . . 1.0 109.762 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.73 -16.27 62.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 1.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -115.59 20.67 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 1.0 109.25 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.22 170.69 43.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 1.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -59.87 -158.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.367 3.378 . . . . 1.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.05 -179.43 52.89 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 1.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -58.48 136.55 57.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 1.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 40' ' ' GLY . 6.6 mt -77.93 134.3 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 1.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 38' ' ' ILE . 31.4 tt0 -32.67 92.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 1.0 110.286 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 86.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.439 1.087 . . . . 1.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -62.29 131.71 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 1.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.22 166.81 12.36 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.136 . . . . 1.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -71.12 -49.24 46.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 1.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -53.77 -41.53 67.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 110.338 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -43.23 67.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.106 . . . . 1.0 111.041 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.8 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -63.37 -12.11 27.79 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.742 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.43 -126.71 0.11 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 1.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -114.92 45.59 1.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.75 . . . . 1.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 35.71 0.9 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 1.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.655 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -179.86 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.261 -1.014 . . . . 1.0 108.261 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.04 -56.01 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 1.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.04 -41.5 0.2 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 1.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -54.84 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.655 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 10.8 m80 -38.04 -48.61 1.22 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.745 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -47.13 -40.15 14.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 1.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.9 tt0 -95.65 -45.55 6.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 1.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.54 -14.37 7.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER 52.08 36.92 20.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 1.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 58' ' ' MET . 5.6 ptmt -156.43 127.33 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.17 174.74 16.52 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.599 1.187 . . . . 1.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.682 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 8.8 Cg_endo -87.84 142.25 5.63 Favored 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.349 3.366 . . . . 1.0 109.633 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.495 ' O ' HMC2 ' A' ' 103' ' ' HEC . 51.0 p -118.86 -27.07 5.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 1.0 110.448 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.3 OUTLIER -59.85 159.07 9.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 1.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -71.88 -62.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 1.0 108.276 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.13 -25.76 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 1.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.18 -44.41 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.797 . . . . 1.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.75 -53.34 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 1.0 108.323 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.5 m-70 -86.15 134.17 33.82 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.789 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -124.56 115.48 20.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.012 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.682 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.852 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 68.47 -65.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.7 t70 -105.37 133.73 49.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 1.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.75 112.37 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.76 127.66 44.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 1.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.0 mt -101.95 82.37 2.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 1.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -36.44 122.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 1.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.844 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -122.01 171.58 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 1.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.33 -22.85 18.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -129.04 61.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.844 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.12 130.44 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.62 159.91 25.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 1.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 25.3 t -113.12 123.26 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -91.46 87.94 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 6.7 t80 -94.87 112.26 57.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.39 97.23 1.03 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.285 3.324 . . . . 1.0 109.654 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' HIS . 48.2 t-80 -63.82 -54.61 32.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.174 0.921 . . . . 1.0 109.814 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -40.48 -34.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 1.0 109.231 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.42 -48.46 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 22.9 m80 -81.45 19.87 0.95 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.774 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.98 1.0 15.24 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.466 1.104 . . . . 1.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.14 23.12 0.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.86 12.24 9.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 1.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.763 HG21 HMC2 ' A' ' 101' ' ' HEC . 6.5 t -112.68 137.33 21.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 19.4 Cg_exo -29.18 -69.44 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.349 3.366 . . . . 1.0 109.557 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.8 t0 -152.73 43.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.329 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.526 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 2.0 t 45.0 -168.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 1.0 108.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 4.7 tttt 69.59 7.27 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 1.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' HD3' HBC1 ' A' ' 102' ' ' HEC . 5.5 ttmm -80.59 -39.24 27.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.41 1.069 . . . . 1.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 1.5 m -102.73 -50.01 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 108.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.648 ' HE1' HD11 ' A' ' 38' ' ' ILE . 41.6 m-70 -79.18 49.46 0.96 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.757 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -53.39 4.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 1.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -73.38 -72.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.08 -168.54 23.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 1.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -85.96 173.88 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.287 3.325 . . . . 1.0 109.613 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . . . 107.54 -162.18 13.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.551 1.157 . . . . 1.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -67.66 126.0 27.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 1.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.669 HD13 HBD1 ' A' ' 101' ' ' HEC . 4.2 mp -88.84 118.96 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.84 156.71 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 1.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 98.1 -45.64 1.66 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 1.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -34.3 145.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 1.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -157.24 170.48 34.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 1.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -63.07 -30.06 71.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 1.0 109.277 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' OE2' ' SD ' ' A' ' 45' ' ' MET . 2.5 pm0 -80.5 -31.38 37.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.423 ' SD ' ' OE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -71.23 -39.29 71.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -48.28 -64.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.218 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -65.64 -10.16 33.56 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 1.0 109.759 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.77 0.21 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.164 . . . . 1.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -115.38 43.0 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 1.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.0 33.89 1.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 1.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.594 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.39 -66.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.25 -1.018 . . . . 1.0 108.25 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -90.92 -59.65 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.58 -56.33 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 1.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -40.58 -65.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.1 m170 -47.3 -43.74 22.79 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.806 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -63.91 -23.11 67.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 1.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.7 mt-10 -98.67 -57.37 2.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 1.0 110.282 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.5 tpt -58.15 -16.5 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 66.08 11.4 7.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 1.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HE3' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -129.41 129.73 45.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.31 167.04 13.35 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HB2' ' CB ' ' A' ' 67' ' ' GLU . 94.5 Cg_endo -92.1 147.66 3.07 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.316 3.344 . . . . 1.0 109.608 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.5 ' O ' HMC2 ' A' ' 103' ' ' HEC . 78.6 p -119.73 -12.42 9.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.0 110.419 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.803 ' O ' HMC3 ' A' ' 103' ' ' HEC . 2.5 mmtt -63.33 158.04 21.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.3 OUTLIER -70.51 -60.45 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.16 -23.14 0.63 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.507 1.13 . . . . 1.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 65' ' ' CYS . 8.5 mm-40 -73.02 -36.16 66.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 1.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.758 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 4.0 m -100.43 -49.63 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 1.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.38 148.02 23.73 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.717 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 107.29 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 1.0 109.351 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 109.352 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.047 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.758 HMB3 ' SG ' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.878 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.62 -68.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.71 135.96 33.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 1.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.87 110.27 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.824 HG13 ' OD1' ' A' ' 12' ' ' ASP . 82.5 t -88.63 130.34 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -109.89 89.32 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 1.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.3 OUTLIER -44.07 127.03 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' CBD' ' A' ' 103' ' ' HEC . . . -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -20.4 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 1.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -121.91 67.26 0.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.134 . . . . 1.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 79.86 120.33 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 1.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.824 ' OD1' HG13 ' A' ' 5' ' ' VAL . 6.0 t70 -59.95 171.74 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG11 HMD3 ' A' ' 103' ' ' HEC . 66.5 t -129.9 117.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.173 . . . . 1.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -93.47 110.52 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.592 1.182 . . . . 1.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.634 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 3.4 t80 -126.35 107.56 24.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 1.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.0 Cg_endo -78.86 87.29 1.57 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.327 3.351 . . . . 1.0 109.567 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -46.61 -51.3 16.05 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.179 0.925 . . . . 1.0 109.785 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -45.0 -41.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -63.34 -48.27 78.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.342 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 8.5 m80 -83.68 17.6 2.22 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.764 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.62 -9.81 14.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.45 -13.02 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.45 58.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 1.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.3 t -129.38 80.88 71.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 1.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' VAL . 17.2 Cg_exo -30.02 -38.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.328 3.352 . . . . 1.0 109.575 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.641 ' O ' ' O ' ' A' ' 27' ' ' CYS . 10.7 t70 -138.52 85.35 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 1.0 109.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.805 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 31.4 p -48.6 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 1.0 108.322 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.667 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 42.1 tttt 102.14 -11.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -20.66 62.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 1.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -112.04 -42.17 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 1.0 108.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 33' ' ' LYS . 31.4 m-70 -86.77 47.06 1.43 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.95 -1.023 . . . . 1.0 109.716 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 29.1 tt0 -62.98 69.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 tttt 163.46 -59.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 1.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 174.74 158.21 18.18 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.504 1.128 . . . . 1.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 34' ' ' GLY . 31.2 Cg_endo -57.06 -158.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.245 3.296 . . . . 1.0 109.651 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . 71.12 164.53 5.87 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.506 1.129 . . . . 1.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -40.28 111.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 0.805 . . . . 1.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 39' ' ' GLU . 20.3 mt -51.97 138.33 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 1.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.548 ' C ' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -26.47 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 110.268 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 30.26 68.07 0.1 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.139 . . . . 1.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -58.41 137.17 57.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 1.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.89 173.44 22.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.528 1.143 . . . . 1.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' HZ2' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -62.62 -57.13 12.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 1.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -40.5 -36.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.187 . . . . 1.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -42.26 62.15 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 1.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -60.39 -13.33 12.67 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.734 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.03 -126.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 1.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -112.71 41.37 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 1.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 36.32 1.05 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 1.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -179.85 -66.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.6 tmtm? -94.2 -58.54 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.02 -46.86 0.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 1.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.498 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -50.65 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.5 m170 -44.02 -46.98 8.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.762 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.44 -29.25 67.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 1.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.4 tt0 -91.81 -59.2 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.9 OUTLIER -56.37 -16.48 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 1.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.03 11.44 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 16.9 ptpt -131.31 130.77 43.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.16 166.49 13.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 1.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.407 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 83.4 Cg_endo -88.39 149.25 6.47 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.355 3.37 . . . . 1.0 109.59 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -129.19 0.46 5.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 1.0 110.341 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -77.42 151.1 34.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -66.81 -46.46 75.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 1.0 108.311 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.81 -18.34 38.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 1.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 21.7 mm-40 -76.71 -47.64 21.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 1.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.828 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 2.1 m -86.34 -50.12 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 108.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 96.6 m-70 -84.58 140.09 31.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.805 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.79 108.45 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.18 . . . . 1.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.955 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.828 HMB3 ' SG ' ' A' ' 68' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.919 HBC3 HMC1 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.322 -0.621 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -45.95 -25.35 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 1.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.565 ' CB ' ' NZ ' ' A' ' 14' ' ' LYS . 8.1 p30 -123.65 133.68 53.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mt -124.68 114.42 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -89.21 124.04 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 1.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.1 mt -95.65 80.28 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 6' ' ' LEU . 13.2 mtmm -33.25 114.5 0.18 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 1.0 109.331 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.818 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.59 162.48 17.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 5.67 49.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -153.31 51.97 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 1.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.818 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 101.08 128.74 6.47 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.52 1.137 . . . . 1.0 111.043 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -75.19 162.77 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 0.718 . . . . 1.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -118.97 118.44 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 1.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' NZ ' ' CB ' ' A' ' 3' ' ' ASP . 1.0 OUTLIER -85.85 91.74 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 48.0 t80 -108.42 116.42 56.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.41 101.65 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.337 3.358 . . . . 1.0 109.603 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -67.05 -51.13 58.42 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.142 0.901 . . . . 1.0 109.727 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -27.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.253 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -42.6 36.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.566 1.166 . . . . 1.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -81.55 18.24 1.24 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.743 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -107.11 -40.0 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 1.0 110.36 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -95.18 16.97 15.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.79 -0.8 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 1.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.6 t -126.86 123.69 23.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.52 -70.04 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.172 0 C-N-CA 124.241 3.294 . . . . 1.0 109.588 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' CYS . 27.3 t0 -142.33 48.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 1.0 109.246 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.727 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.0 m 39.79 -139.55 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 1.0 108.284 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 11.1 ttmm 71.28 4.85 5.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -98.9 -3.28 35.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.25 -50.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.757 ' CE1' HD11 ' A' ' 38' ' ' ILE . 34.2 m-70 -86.75 56.69 4.11 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.789 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -66.49 60.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.387 1.054 . . . . 1.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.9 OUTLIER 169.97 -67.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 1.0 109.258 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.43 161.78 34.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 1.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.4 -159.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.338 3.359 . . . . 1.0 109.543 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.42 173.61 44.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 1.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -54.15 135.82 43.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 0.749 . . . . 1.0 109.303 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.757 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.5 mp -93.67 120.65 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.52 159.04 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 92.97 -46.57 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 1.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -31.94 146.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 1.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -167.93 176.16 42.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 1.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HD3' HAD1 ' A' ' 103' ' ' HEC . 0.2 OUTLIER -63.29 -21.55 66.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 1.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.4 -37.56 16.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 1.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -40.83 79.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.189 . . . . 1.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.25 -62.24 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 1.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.71 -8.35 41.84 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.76 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -115.46 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 1.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -129.83 42.31 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 1.0 109.33 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.51 12.38 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.641 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -158.52 -57.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.536 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 ttpt -98.09 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 1.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -25.23 -49.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 1.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -45.42 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.334 -0.988 . . . . 1.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.641 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.6 m80 -47.23 -44.24 22.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.819 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -60.35 -18.35 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 110.313 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.69 -52.49 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -58.88 -18.49 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 110.983 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.39 13.94 9.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.688 ' CE ' HMD1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -137.17 130.41 31.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.61 165.37 12.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 1.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.627 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 78.4 Cg_endo -90.28 144.48 4.05 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.378 3.386 . . . . 1.0 109.577 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.582 ' O ' HMC2 ' A' ' 103' ' ' HEC . 64.7 p -119.36 -18.76 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 110.445 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -59.68 148.48 33.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 1.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -65.32 -60.0 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 108.337 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -45.59 -24.37 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.54 1.15 . . . . 1.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 33.1 mm-40 -76.52 -35.57 58.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 1.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -94.99 -50.74 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 108.275 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -90.5 154.68 19.45 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -131.25 118.04 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.769 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.688 HMD1 ' CE ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.913 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.24 -57.48 0.33 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 1.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -107.26 133.13 52.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mt -120.88 110.4 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.11 127.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 1.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 7' ' ' LYS . 12.0 mt -100.75 83.32 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 1.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.42 112.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 1.0 109.315 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -118.45 146.3 44.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 1.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -78.66 -10.9 59.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 1.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.48 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.9 t30 -134.7 67.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 1.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.871 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.11 133.12 2.39 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.44 1.087 . . . . 1.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.13 170.4 16.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 1.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 72.4 t -124.18 133.43 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 1.0 109.36 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -97.37 98.91 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 1.0 109.37 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 8.9 t80 -112.66 107.69 54.67 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 1.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 88.2 Cg_endo -78.44 86.87 1.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.318 3.346 . . . . 1.0 109.564 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.703 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 36.5 t-80 -57.8 -59.24 5.53 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.087 0.867 . . . . 1.0 109.776 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -43.31 -39.51 3.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 1.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -65.03 -41.3 95.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 1.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.2 m80 -80.22 8.13 7.98 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.743 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -93.03 5.24 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 1.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -162.62 37.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 1.0 109.241 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -140.7 18.8 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.247 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.402 HG21 HBC2 ' A' ' 102' ' ' HEC . 75.8 t -151.08 98.77 3.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 1.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -36.87 -58.93 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 1.0 109.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 28' ' ' LYS . 18.1 t0 -105.21 69.57 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 1.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.508 ' CA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.19 -27.5 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.3 mmtm -51.6 -21.31 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 1.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.614 ' HD2' HBC1 ' A' ' 102' ' ' HEC . 6.5 ttmt -39.77 -53.42 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.92 -37.78 23.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.701 ' CE1' HD11 ' A' ' 38' ' ' ILE . 54.3 m-70 -101.01 60.14 0.93 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 4.7 tt0 -78.38 65.51 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.31 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 162.25 -46.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 1.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 166.05 158.18 10.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 1.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 35.2 Cg_endo -57.66 -157.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.346 3.364 . . . . 1.0 109.569 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.516 ' HA3' ' HZ3' ' A' ' 37' ' ' LYS . . . 74.94 165.47 14.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 1.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HZ3' ' HA3' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -35.34 134.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 1.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.701 HD11 ' CE1' ' A' ' 31' ' ' HIS . 2.9 mp -95.82 98.31 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.2 mt-10 29.05 -133.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.305 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -114.58 71.67 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.8 t80 -37.05 153.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 1.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -149.17 160.12 28.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 1.0 111.002 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HG2' ' CHA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -61.46 -58.54 7.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 0.767 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.4 -35.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 1.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.56 -45.28 54.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 1.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -49.25 -66.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -61.45 -13.58 21.75 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.822 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -78.32 -135.93 0.99 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 1.0 111.009 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.11 49.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.18 31.96 0.72 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 1.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER 177.97 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.311 -0.996 . . . . 1.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HD2' HMC2 ' A' ' 103' ' ' HEC . 24.4 tttt -87.06 -56.13 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -35.83 -54.62 1.12 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -44.61 -64.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.211 -1.033 . . . . 1.0 108.211 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -46.01 -44.85 15.48 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -63.95 -25.74 68.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 110.336 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tp10 -92.68 -60.15 1.89 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 1.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tpp -56.39 -18.05 9.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 1.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.85 10.48 7.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 1.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.1 ptpm? -128.25 132.19 48.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.44 171.7 14.91 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 1.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.734 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 72.0 Cg_endo -87.46 144.4 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.362 3.375 . . . . 1.0 109.587 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.576 ' O ' HMC2 ' A' ' 103' ' ' HEC . 30.3 p -121.52 -32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 1.0 110.446 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -52.8 152.75 3.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -67.83 -59.73 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 1.0 108.277 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.42 -24.46 0.63 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 1.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 11.3 mm-40 -75.7 -33.53 60.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 1.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -97.79 -52.03 3.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 108.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -88.0 125.75 34.7 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.03 -0.986 . . . . 1.0 109.773 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -143.42 154.75 44.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.112 . . . . 1.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.986 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.734 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.868 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.58 -73.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 1.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' OD2' ' CE ' ' A' ' 14' ' ' LYS . 19.2 t70 -91.84 130.63 37.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.72 114.16 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 14' ' ' LYS . 38.6 t -84.37 127.7 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 1.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.04 79.34 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -40.49 122.51 1.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB2' HBD2 ' A' ' 103' ' ' HEC . . . -123.27 156.53 35.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 1.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.44 41.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 1.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 23.9 t30 170.97 52.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 1.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.75 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 100.93 127.23 6.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 1.0 110.993 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.96 164.34 25.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 1.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.4 t -120.73 140.15 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 1.0 109.283 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' CE ' ' OD2' ' A' ' 3' ' ' ASP . 7.4 mmtp -107.56 108.26 19.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 86.1 t80 -125.47 117.81 24.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -83.75 95.22 0.76 Allowed 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.364 3.376 . . . . 1.0 109.635 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 20' ' ' HIS . 56.8 t-80 -63.61 -56.9 12.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.14 0.9 . . . . 1.0 109.722 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -44.17 -31.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 1.0 109.256 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.2 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.6 m80 -80.64 9.66 5.85 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.765 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -103.8 8.14 37.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 1.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -147.62 18.28 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 1.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB2' ' O1D' ' A' ' 102' ' ' HEC . . . -121.7 7.52 9.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 1.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.79 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.0 t -119.61 87.64 37.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -34.23 -32.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.315 3.344 . . . . 1.0 109.659 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' VAL . 16.4 t0 -145.66 99.95 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.371 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.726 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -53.21 -172.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 108.294 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt 71.99 19.72 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HD2' HBC1 ' A' ' 102' ' ' HEC . 7.6 ttmm -84.92 -48.35 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -90.54 -54.58 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 89.2 m-70 -59.94 -36.2 76.56 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.767 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' HIS . 1.8 tt0 90.83 -51.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 1.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 172.69 81.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.28 132.75 3.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 1.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -158.85 0.08 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.291 3.327 . . . . 1.0 109.65 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.77 -174.81 54.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 1.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.07 146.86 26.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.8 mt -90.33 140.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 40' ' ' GLY . 3.6 pt-20 -29.53 93.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.615 1.197 . . . . 1.0 110.216 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.94 84.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.521 1.138 . . . . 1.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.2 t80 -59.63 150.91 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 1.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.579 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -145.02 170.28 26.51 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 1.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.3 OUTLIER -71.69 -52.52 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 0.716 . . . . 1.0 109.309 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -47.09 -37.36 9.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 1.0 110.263 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -42.4 78.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -51.26 -62.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 1.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -64.99 -9.88 25.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.77 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.47 -135.62 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -101.83 51.53 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.729 . . . . 1.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.19 26.93 0.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.153 . . . . 1.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.603 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -178.02 -69.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.1 tmmt? -89.14 -58.26 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.46 -46.86 0.19 Allowed Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.497 1.123 . . . . 1.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -52.29 -67.3 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.603 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.1 m80 -45.86 -45.73 15.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.809 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.23 -27.45 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 1.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' CYS . 66.3 mt-10 -96.32 -50.95 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 1.0 110.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.934 ' SD ' HMD3 ' A' ' 102' ' ' HEC . 1.7 ttt -63.22 -19.62 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 1.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptp 63.89 21.65 12.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 1.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.3 OUTLIER -139.59 128.89 24.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 1.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.62 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 1.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 1.048 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.9 Cg_exo -78.92 144.98 19.44 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.281 3.321 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.643 ' O ' HMC2 ' A' ' 103' ' ' HEC . 4.7 p -123.5 -33.15 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.774 ' O ' HMC3 ' A' ' 103' ' ' HEC . 3.5 mmtt -56.93 159.28 4.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 1.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.2 OUTLIER -69.39 -59.17 3.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.601 1.188 . . . . 1.0 108.331 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.88 -21.83 1.01 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 1.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.0 mm-40 -77.24 -29.23 53.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 1.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -103.7 -47.95 4.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 1.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.6 m-70 -93.66 149.96 20.8 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.77 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -143.33 120.18 11.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 1.0 109.263 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.89 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 1.048 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.9 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.78 30.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.068 . . . . 1.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -165.81 127.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.16 111.84 32.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 1.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.19 126.95 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 1.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.4 mt -103.65 81.88 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' LEU . 9.6 mtmt -37.69 120.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.102 . . . . 1.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.896 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -126.12 170.23 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' H ' ' CGA' ' A' ' 103' ' ' HEC . 0.9 OUTLIER -92.67 -47.0 7.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.496 HD21 ' CE1' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -75.64 -11.93 60.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.896 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 146.97 138.56 3.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.124 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -65.88 161.8 20.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 1.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 t -118.42 129.54 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 1.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.19 95.55 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 1.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 4.5 t80 -114.72 111.17 46.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 1.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.3 Cg_endo -84.45 100.14 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.355 3.37 . . . . 1.0 109.563 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 54.8 t-80 -63.74 -56.49 15.23 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.124 0.89 . . . . 1.0 109.763 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -42.76 -30.1 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 1.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.4 -45.87 36.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 17' ' ' HIS . 14.0 m80 -80.96 11.64 3.87 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.511 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 6.1 tt0 -103.29 -15.45 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 1.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -114.52 -21.43 10.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 1.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.72 -4.83 36.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.418 1.074 . . . . 1.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.7 OUTLIER -127.1 111.38 21.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 9.8 Cg_exo -31.32 -67.26 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.265 3.31 . . . . 1.0 109.634 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 27' ' ' CYS . 2.9 t70 -135.06 36.54 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 1.0 109.269 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 28.5 p 31.6 -135.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 1.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 10.5 ttmt 75.55 -6.22 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 1.0 109.372 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 27' ' ' CYS . 12.8 ttmm -77.21 -24.17 51.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 1.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -110.16 -39.29 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' HE1' HD11 ' A' ' 38' ' ' ILE . 55.6 m-70 -91.55 45.78 1.25 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.046 -0.979 . . . . 1.0 109.755 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 31' ' ' HIS . 8.5 tp10 -31.87 -62.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -67.15 -68.33 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.2 -179.95 45.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 1.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -59.86 -157.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.313 3.342 . . . . 1.0 109.576 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.6 32.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.35 122.05 7.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 1.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.573 HD12 HBD1 ' A' ' 101' ' ' HEC . 6.7 mt -66.83 86.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 1.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.8 mt-10 35.67 -116.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 1.0 110.345 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.83 63.59 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 1.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -39.34 142.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 1.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.27 170.72 24.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 1.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.49 -58.84 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 1.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -41.01 -31.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -43.11 30.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.65 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -61.68 -11.37 11.53 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.684 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -82.6 -139.53 3.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 1.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -97.69 46.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 0.801 . . . . 1.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.43 31.15 1.04 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 1.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 179.24 -71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.269 -1.011 . . . . 1.0 108.269 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.89 -56.78 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.603 1.189 . . . . 1.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.28 -49.03 0.46 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.441 1.088 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.89 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.6 m170 -45.28 -44.15 11.15 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.713 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -60.31 -29.53 68.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -94.16 -53.58 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 1.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.68 -16.53 40.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? 60.36 26.81 16.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 1.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.9 OUTLIER -145.89 128.76 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.423 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 120.47 169.46 13.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 1.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.742 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 7.2 Cg_exo -75.14 143.99 29.28 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.258 3.306 . . . . 1.0 109.642 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 p -127.89 -0.76 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 110.395 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.777 ' O ' HMC3 ' A' ' 103' ' ' HEC . 6.8 mttm -89.95 161.74 15.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -69.87 -61.26 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 1.0 108.27 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.19 -21.67 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.59 1.181 . . . . 1.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 8.8 mm-40 -74.28 -35.11 63.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 1.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.502 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.6 m -100.63 -46.84 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 1.0 108.303 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.496 ' CE1' HD21 ' A' ' 10' ' ' ASN . 95.9 m-70 -94.83 156.05 16.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.842 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -176.44 151.51 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 1.0 109.252 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 1.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.947 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.939 HBB2 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.808 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.93 -58.22 6.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 1.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.53 132.39 47.19 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.531 1.144 . . . . 1.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mt -117.27 113.47 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 1.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -89.86 127.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' LYS . 9.8 mt -102.31 80.1 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.6 120.89 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.123 . . . . 1.0 109.238 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.986 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -124.46 154.5 40.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -19.86 52.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 8.9 t-20 -126.43 68.01 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.986 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.85 138.78 4.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.5 167.22 17.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.787 . . . . 1.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 48.2 t -123.34 130.7 74.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 1.0 109.287 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.29 105.28 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.608 1.192 . . . . 1.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.752 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 4.9 t80 -124.82 115.38 26.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 95.6 Cg_endo -85.73 104.08 0.77 Allowed 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.277 3.318 . . . . 1.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 19' ' ' ALA . 49.8 t-80 -66.06 -56.06 13.43 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.205 0.94 . . . . 1.0 109.691 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 5.4 tmtt? -46.88 -24.01 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -81.53 -46.98 13.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.7 m80 -83.42 19.81 1.47 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.82 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.87 -4.59 14.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 1.0 110.26 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -120.69 -23.92 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' CB ' ' O2D' ' A' ' 102' ' ' HEC . . . -73.02 -5.03 36.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 1.6 t -123.36 114.84 28.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' VAL . 9.3 Cg_exo -31.94 -69.75 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 124.377 3.385 . . . . 1.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.516 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.8 t70 -134.34 35.16 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 1.0 109.334 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.868 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 29.6 p 34.66 -139.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 26' ' ' ASP . 17.2 mtpt 76.27 -5.37 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -76.16 -25.39 55.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 m -107.69 -39.02 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 1.0 108.361 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.51 ' O ' ' C ' ' A' ' 32' ' ' GLU . 62.7 m-70 -89.97 46.23 1.34 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.773 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 31' ' ' HIS . 21.7 tt0 -30.43 -70.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.273 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -66.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.24 -177.56 44.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 1.0 111.054 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -59.9 -158.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 124.283 3.322 . . . . 1.0 109.629 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.56 164.05 17.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 1.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -49.06 128.88 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 1.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLY . 2.2 mt -65.63 137.73 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 1.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.5 tt0 -37.78 93.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.71 90.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 1.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 4.7 t80 -57.97 149.7 22.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 1.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -140.55 160.72 26.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 1.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -68.99 -57.72 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 1.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.33 -34.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 1.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.31 50.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 1.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.463 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -50.45 -64.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -61.34 -11.75 11.21 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.744 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.7 -138.09 4.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 1.0 111.034 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -98.01 50.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 1.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.29 28.39 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 1.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.08 -71.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.343 -0.984 . . . . 1.0 108.343 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HE2' HMC2 ' A' ' 103' ' ' HEC . 25.3 ttmt -85.91 -56.87 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.58 -57.24 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 1.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -40.89 -61.58 0.95 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 18.5 m170 -50.53 -44.69 56.37 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.764 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.08 -23.59 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 1.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -56.69 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.608 1.193 . . . . 1.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.1 tpt -63.8 -17.59 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 1.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.97 39.45 10.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' HE3' HMD1 ' A' ' 102' ' ' HEC . 0.8 OUTLIER -156.82 131.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 1.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 118.91 170.95 14.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.404 1.065 . . . . 1.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.942 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.0 Cg_exo -77.22 136.35 16.01 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.331 3.354 . . . . 1.0 109.634 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 p -122.19 -8.2 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 110.404 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.694 ' O ' HMC3 ' A' ' 103' ' ' HEC . 3.6 mmtp -80.37 161.12 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.103 . . . . 1.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.7 OUTLIER -69.35 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 108.227 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -43.73 -24.4 0.45 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 1.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 6.5 mm-40 -72.39 -39.26 68.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 1.0 110.328 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.549 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.3 m -94.92 -47.4 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 1.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -90.76 141.1 29.16 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -165.9 135.37 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.919 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.942 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.874 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.25 3.26 7.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.13 127.24 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 1.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 mt -117.94 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.416 1.073 . . . . 1.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -89.79 127.99 42.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 1.0 109.305 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 6.3 mt -106.23 87.78 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -47.82 120.61 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 1.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.953 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.97 160.75 20.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HB3' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -90.39 11.82 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -159.26 54.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 109.33 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.953 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 98.66 134.01 8.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.63 167.52 21.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 70.3 t -123.58 133.91 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.18 116.02 28.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 29.0 t80 -135.2 106.77 10.27 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 1.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 93.9 Cg_endo -81.26 85.65 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.292 3.328 . . . . 1.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -51.27 -57.05 9.89 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.125 0.891 . . . . 1.0 109.764 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.11 -37.23 0.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 1.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.03 -45.61 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 1.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.2 m80 -78.7 7.24 7.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.774 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -102.1 3.02 38.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.331 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.39 19.69 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 1.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.6 6.87 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.288 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG21 HMC2 ' A' ' 101' ' ' HEC . 2.3 t -119.71 85.21 32.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.8 Cg_exo -33.29 -33.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.296 3.331 . . . . 1.0 109.598 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.9 t70 -138.48 96.83 3.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 1.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.0 t -58.96 -176.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 1.0 108.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 13.4 ttmt 85.4 -3.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -53.94 46.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 1.1 m -86.45 -46.74 9.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -79.63 48.93 0.97 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.786 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -69.72 63.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 1.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.4 tttt 167.5 -49.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 1.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' PRO . . . 165.3 155.85 8.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 1.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' GLY . 30.9 Cg_endo -56.97 -159.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.35 3.367 . . . . 1.0 109.525 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.67 170.13 34.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 1.0 111.034 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -46.77 112.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 1.0 109.322 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.492 ' O ' ' C ' ' A' ' 39' ' ' GLU . 10.5 mt -55.06 137.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 1.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -29.91 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 1.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 24.97 79.93 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 1.0 111.034 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 4.4 t80 -49.61 140.65 10.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 1.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.52 161.08 23.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 1.0 111.077 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -68.65 -56.14 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 1.0 109.255 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -40.86 -39.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 1.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.403 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -69.97 -40.33 75.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.13 -67.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -12.82 9.44 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.964 -1.016 . . . . 1.0 109.678 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.09 -145.31 8.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.549 1.156 . . . . 1.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 49.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 0.79 . . . . 1.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.86 22.95 1.02 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.09 . . . . 1.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -178.22 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.301 -0.999 . . . . 1.0 108.301 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -84.76 -54.57 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 1.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -34.67 -49.05 0.71 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.547 1.154 . . . . 1.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -51.57 -70.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 19.6 m170 -39.07 -45.95 1.33 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.809 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -56.76 -42.64 79.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' CYS . 3.1 mm-40 -83.37 -53.16 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -60.24 -13.1 10.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 111.027 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.92 16.81 2.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -129.84 138.09 50.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 1.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 172.82 22.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 1.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.492 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 96.9 Cg_endo -93.66 146.22 2.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.285 3.323 . . . . 1.0 109.579 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.587 ' O ' HMC2 ' A' ' 103' ' ' HEC . 62.8 p -120.52 -19.35 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.0 110.468 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' O ' HMC3 ' A' ' 103' ' ' HEC . 4.9 tptt -58.25 149.81 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -66.33 -59.09 4.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 1.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -46.0 -24.25 1.33 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.397 1.061 . . . . 1.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 14.5 mm-40 -74.91 -34.27 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 1.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.6 m -98.28 -52.14 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 108.353 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.4 m-70 -89.7 137.21 32.53 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.924 -1.034 . . . . 1.0 109.767 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 121.94 7.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 1.0 109.257 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 1.0 109.307 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.049 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.644 HMB1 HBB3 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.89 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 4.6 m-20 88.16 -39.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 1.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.24 135.5 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 1.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.54 112.47 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 1.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.481 HG13 ' OD2' ' A' ' 12' ' ' ASP . 59.3 t -93.16 127.48 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 1.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 8.6 mt -104.31 101.22 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.36 124.15 19.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 1.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.957 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -134.58 129.72 35.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -57.88 -25.15 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 1.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' N ' ' O2A' ' A' ' 103' ' ' HEC . 5.6 m-20 -110.44 59.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.957 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.95 137.77 2.55 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 1.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.481 ' OD2' HG13 ' A' ' 5' ' ' VAL . 4.1 t70 -78.45 174.21 11.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -133.94 140.92 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 1.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -102.47 129.0 48.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 1.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' CD2' ' A' ' 20' ' ' HIS . 20.5 t80 -144.39 111.78 5.06 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HG2' ' HB3' ' A' ' 19' ' ' ALA . 94.5 Cg_endo -83.47 87.03 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.295 3.33 . . . . 1.0 109.587 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 21' ' ' GLN . 45.7 t-80 -46.94 -54.48 9.96 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.173 0.921 . . . . 1.0 109.718 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -45.15 -35.91 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 1.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . . . -70.88 -47.13 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 1.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' CE1' ' A' ' 15' ' ' PHE . 8.1 m80 -85.18 24.58 1.09 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.599 ' OE1' ' CE1' ' A' ' 17' ' ' HIS . 16.9 tt0 -116.79 10.36 14.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 1.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.01 24.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 1.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.98 22.5 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 27' ' ' CYS . 40.4 t -147.13 94.67 4.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -36.15 -55.09 0.79 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.377 3.385 . . . . 1.0 109.551 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' LYS . 21.6 t0 -107.48 69.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 1.0 109.323 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CHC' ' A' ' 101' ' ' HEC . 0.0 OUTLIER -44.37 -28.2 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 1.0 108.307 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -50.49 -23.27 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 1.0 109.353 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 28' ' ' LYS . 3.5 tppt? -38.94 -54.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 109.412 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.5 m -78.9 -55.18 5.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 108.301 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' C4B' ' A' ' 101' ' ' HEC . 47.6 m-70 -85.16 54.12 2.99 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.749 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.5 mt-10 -54.05 -52.18 61.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.19 -66.43 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.23 178.93 42.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 1.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.85 167.84 14.3 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.387 3.391 . . . . 1.0 109.552 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.92 167.77 16.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.94 101.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 1.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 40' ' ' GLY . 42.6 mt -49.47 133.01 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 40' ' ' GLY . 32.0 mt-10 -38.58 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.25 89.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 1.0 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 3.3 t80 -53.48 149.8 7.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 1.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -126.99 150.78 18.07 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.484 1.115 . . . . 1.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -71.42 -57.01 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.313 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 12.0 pm0 -39.55 -38.84 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -65.49 -44.18 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 1.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -46.81 -63.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 1.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -63.69 -11.86 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.786 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.56 -132.96 1.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 1.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -108.82 51.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 1.0 109.336 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.35 28.93 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.567 1.167 . . . . 1.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.608 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 1.2 t -178.64 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -86.42 -57.57 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.55 -55.3 0.47 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 1.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -42.15 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.284 -1.006 . . . . 1.0 108.284 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.8 m170 -45.94 -47.18 16.48 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.727 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -56.13 -32.54 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.37 -52.27 5.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 1.0 110.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -9.74 38.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 1.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' HIS . 10.0 mttm 55.74 20.63 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.332 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.17 140.21 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 1.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 62' ' ' PRO . . . 107.2 171.93 22.36 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.514 1.134 . . . . 1.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.8 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 4.8 Cg_exo -81.36 144.31 14.37 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.282 3.322 . . . . 1.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.537 ' O ' HMC2 ' A' ' 103' ' ' HEC . 4.7 p -121.45 -36.53 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.4 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.8 tptt -53.8 150.86 6.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -63.28 -58.96 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.075 . . . . 1.0 108.325 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.05 -25.84 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 1.0 110.975 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 3.2 mm-40 -74.13 -23.11 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 0.732 . . . . 1.0 110.247 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.41 ' HB2' ' C2C' ' A' ' 103' ' ' HEC . 1.2 m -107.98 -52.78 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 1.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.6 m-70 -88.47 154.75 20.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.772 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 119.16 26.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.396 1.06 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.972 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.8 HMA3 ' HG2' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.892 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 1.0 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 65.27 -61.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.8 t70 -97.86 135.85 39.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.4 113.24 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 1.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.51 118.33 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 1.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.0 mt -93.47 78.86 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 6' ' ' LEU . 22.4 mttp -34.75 121.9 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 1.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -130.0 138.03 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 109.27 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB2' ' O1A' ' A' ' 103' ' ' HEC . 1.6 mttt -72.39 -5.85 39.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -132.65 56.58 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 1.0 109.218 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.928 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 89.71 132.43 4.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 1.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.49 166.36 23.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 1.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -123.44 112.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 1.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HD2' ' OD2' ' A' ' 3' ' ' ASP . 17.7 tptp -81.49 82.75 7.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 1.0 109.235 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.887 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 7.8 t80 -95.93 112.28 58.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.6 Cg_endo -85.12 88.54 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.299 3.333 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.656 ' O ' ' N ' ' A' ' 20' ' ' HIS . 54.1 t-80 -58.52 -62.99 1.44 Allowed 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.25 0.968 . . . . 1.0 109.778 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' HIS . 10.3 tttt -38.71 -38.77 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 1.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -66.14 -40.6 90.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 1.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' N ' ' O ' ' A' ' 17' ' ' HIS . 31.2 m80 -78.66 3.44 16.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.968 -1.014 . . . . 1.0 109.794 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.0 8.39 44.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.99 18.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 1.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' O1D' ' A' ' 102' ' ' HEC . . . -118.43 0.74 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 1.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.3 OUTLIER -126.4 80.89 68.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -35.72 -30.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.367 3.378 . . . . 1.0 109.577 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' VAL . 9.0 t0 -125.14 77.02 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 1.0 109.315 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 10.8 t -50.42 166.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 1.0 108.241 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' CD ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER 90.0 6.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 1.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.85 -46.99 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.5 OUTLIER -84.64 -42.57 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 108.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 86.5 m-70 -75.36 -78.07 0.12 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 68.17 -53.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -79.29 19.26 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 1.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 32' ' ' GLU . . . 88.08 158.99 34.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.496 1.123 . . . . 1.0 111.042 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -58.83 -157.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.31 3.34 . . . . 1.0 109.6 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.06 161.45 36.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 1.0 110.997 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -47.46 99.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 1.0 109.328 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -34.47 142.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 1.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 1.2 pp20? -41.91 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.05 79.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 6.6 t80 -50.87 156.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 1.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.64 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -148.33 165.26 29.04 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HE3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -69.96 -57.86 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 1.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -41.98 -35.23 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 1.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -40.17 64.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 1.0 110.994 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -50.51 -67.14 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.172 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -63.71 -10.91 21.87 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.724 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.99 -130.12 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 1.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.74 48.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 1.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.36 36.65 0.59 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 1.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 176.84 -64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 ttmm -96.14 -57.66 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.76 -44.79 0.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 1.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -53.83 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.266 -1.013 . . . . 1.0 108.266 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.2 m170 -37.51 -45.24 0.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.931 -1.031 . . . . 1.0 109.805 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -56.83 -46.79 81.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 1.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -79.44 -50.88 10.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 1.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.634 ' SD ' HMD3 ' A' ' 102' ' ' HEC . 1.0 OUTLIER -61.72 -21.53 64.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 1.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER 66.31 13.12 9.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 1.2 ptpt -131.14 131.78 44.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.77 171.57 15.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 1.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.798 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 91.8 Cg_endo -84.47 140.65 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.164 0 C-N-CA 124.35 3.366 . . . . 1.0 109.597 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.607 ' O ' HMC2 ' A' ' 103' ' ' HEC . 44.9 p -121.35 -29.33 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.418 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.689 ' O ' HMC3 ' A' ' 103' ' ' HEC . 7.8 mmtt -60.09 157.1 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 1.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.93 -62.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 108.33 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.66 -24.71 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 1.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' ' HB2' ' A' ' 62' ' ' PRO . 6.3 mm-40 -75.68 -39.1 58.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 1.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -92.11 -48.54 6.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 108.3 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.9 m-70 -91.71 139.0 31.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.746 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 129.05 34.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 1.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.987 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.887 HBB2 ' CE2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.905 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER 67.92 -67.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 1.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 1' ' ' ALA . 27.7 p-10 -110.15 132.72 53.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.369 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' O2D' ' A' ' 101' ' ' HEC . 5.8 mt -123.97 110.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 1.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.679 HG13 ' OD1' ' A' ' 12' ' ' ASP . 83.8 t -89.51 126.08 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.379 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' LYS . 10.1 mt -106.26 79.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 1.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.11 133.13 1.25 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.538 1.148 . . . . 1.0 109.241 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.99 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -136.17 156.56 48.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -34.6 62.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.4 t30 -111.75 72.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.99 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.23 144.14 4.07 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.107 . . . . 1.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.679 ' OD1' HG13 ' A' ' 5' ' ' VAL . 28.1 t70 -77.41 171.53 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 1.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.514 HG11 HMD3 ' A' ' 103' ' ' HEC . 90.8 t -130.46 108.89 16.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.42 112.23 20.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 1.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 17.8 t80 -119.68 112.43 35.38 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 85.9 Cg_endo -77.7 85.73 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.51 ' O ' ' N ' ' A' ' 20' ' ' HIS . 18.4 t-80 -57.67 -58.15 9.58 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.142 0.901 . . . . 1.0 109.753 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.86 -37.33 3.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 1.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -68.02 -38.29 82.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' HIS . 52.4 m80 -84.21 26.94 0.71 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.814 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -102.17 -43.82 5.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 1.0 110.335 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -111.9 39.56 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 1.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.9 15.43 2.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 1.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.1 OUTLIER -142.0 92.09 7.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -37.22 -30.0 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.328 3.352 . . . . 1.0 109.532 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' VAL . 17.8 t70 -134.42 96.47 3.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 109.299 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.9 OUTLIER -53.27 -25.45 14.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 32' ' ' GLU . 10.4 mmtt -63.57 -16.45 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 2.8 ttmm -41.21 -57.26 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.34 -32.58 12.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 1.0 108.341 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 28.5 m-70 -99.92 53.93 0.92 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' LYS . 35.6 mt-10 -56.74 -36.69 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.55 -67.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 1.0 109.334 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.64 168.31 40.61 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -60.19 -178.75 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.298 3.332 . . . . 1.0 109.565 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.26 165.06 31.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 1.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -48.45 104.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 1.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -37.79 138.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 1.0 109.304 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.7 OUTLIER -43.88 101.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 110.346 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 31.53 91.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 1.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 9.4 t80 -65.25 159.77 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 1.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -143.4 157.63 27.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.582 1.176 . . . . 1.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HG3' HAD1 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -72.92 -57.39 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 1.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -42.31 -38.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.15 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -49.39 -65.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -65.48 -10.83 37.73 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -77.15 -131.03 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 1.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.47 45.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 1.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.15 34.79 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 1.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.59 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.4 OUTLIER 176.19 -58.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -99.23 -63.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.99 -52.57 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 1.0 111.037 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.494 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -44.41 -65.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.4 m170 -44.56 -45.35 9.35 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.731 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.98 -30.01 71.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 1.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 mt-10 -88.25 -57.72 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -58.55 -19.0 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 110.917 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.89 12.83 8.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.416 1.072 . . . . 1.0 109.36 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.5 OUTLIER -132.76 130.13 39.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 1.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.21 166.5 12.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 1.0 111.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.409 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 92.7 Cg_endo -90.52 142.45 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.297 3.332 . . . . 1.0 109.568 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 ' O ' HMC2 ' A' ' 103' ' ' HEC . 78.0 p -118.43 -19.38 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 1.0 110.377 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.704 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.2 OUTLIER -58.59 154.12 14.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 1.0 109.357 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -69.49 -59.07 3.22 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -44.58 -23.6 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.426 1.079 . . . . 1.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 65' ' ' CYS . 9.2 mm-40 -74.19 -37.46 63.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' CYS . 3.1 m -96.78 -50.64 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 1.0 108.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.4 m-70 -87.65 133.97 33.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.753 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.82 124.29 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.343 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 1.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.974 HMC2 HG21 ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.519 ' C2C' HBC1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.931 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.371 -0.603 . . . . 1.0 109.371 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -142.99 -46.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.41 137.59 40.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mt -125.18 114.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -90.9 130.34 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 1.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.6 mt -106.3 85.49 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 1.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -41.03 117.11 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.815 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -115.28 159.85 20.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' CB ' ' O2A' ' A' ' 103' ' ' HEC . 2.6 mtmt -94.13 10.67 32.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 1.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 27.7 t-20 -162.87 57.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 1.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.815 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 99.42 125.16 5.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 1.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -74.12 168.86 18.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.59 127.67 71.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.16 97.27 10.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 8.3 t80 -112.59 110.49 52.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 89.6 Cg_endo -85.88 92.75 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.362 3.374 . . . . 1.0 109.635 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.3 t-80 -58.79 -54.69 44.21 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 124.171 0.919 . . . . 1.0 109.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -30.01 1.14 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -75.89 -41.29 52.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 109.379 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' HIS . 40.0 m80 -81.52 17.55 1.38 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.935 -1.03 . . . . 1.0 109.799 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -108.25 -6.01 16.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 110.316 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -130.11 8.45 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.23 1.73 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -130.09 74.55 80.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -43.32 -26.18 0.88 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.269 3.313 . . . . 1.0 109.572 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -124.54 71.98 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 9.7 t -43.16 166.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER 88.99 19.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 5.3 ttmt -83.0 -31.87 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 109.278 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -111.28 -53.62 2.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.491 1.119 . . . . 1.0 108.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' ' CB ' ' A' ' 32' ' ' GLU . 63.9 m-70 -54.39 -63.29 1.2 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.78 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.643 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.3 tt0 94.85 55.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.597 1.186 . . . . 1.0 110.286 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.643 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.1 ptpt 52.98 74.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' HA2' ' HD2' ' A' ' 35' ' ' PRO . . . 158.62 94.93 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 1.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 Cg_endo -67.4 -157.68 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.32 3.346 . . . . 1.0 109.618 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.43 -162.65 53.47 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 1.0 111.002 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -64.48 146.73 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 1.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.651 ' O ' ' C ' ' A' ' 39' ' ' GLU . 3.5 mt -90.63 98.12 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 1.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.651 ' C ' ' O ' ' A' ' 38' ' ' ILE . 9.2 mt-10 13.45 -111.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.56 81.59 0.34 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.549 1.156 . . . . 1.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -76.07 140.0 41.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 1.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.56 172.99 22.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.445 1.091 . . . . 1.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' CE ' HAD1 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -60.4 -56.82 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 1.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -40.63 -38.73 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -40.01 70.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -52.55 -70.09 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -57.76 -14.45 5.82 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.759 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.83 -131.0 0.33 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.526 1.141 . . . . 1.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.92 44.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 1.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.46 33.95 0.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 1.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.653 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER 178.68 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.241 -1.022 . . . . 1.0 108.241 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -88.74 -57.27 2.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.521 1.138 . . . . 1.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.85 -56.2 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 1.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' SG ' HMC1 ' A' ' 102' ' ' HEC . 0.1 OUTLIER -41.64 -61.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.001 . . . . 1.0 108.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.653 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.7 m170 -50.43 -46.47 56.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.747 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -77.67 3.75 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 1.0 110.315 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 53' ' ' GLY . 2.2 tt0 -98.67 -55.19 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.391 1.057 . . . . 1.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.507 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -91.8 -22.93 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 1.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 58' ' ' MET . 4.1 tttp 88.66 33.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 1.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -132.48 128.03 36.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.36 172.53 19.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 1.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.777 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 73.4 Cg_endo -90.62 144.85 3.84 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.279 3.319 . . . . 1.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.494 ' O ' ' CMC' ' A' ' 103' ' ' HEC . 47.5 p -120.54 -20.4 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 110.411 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLU . 1.6 tptt -60.69 149.7 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.1 OUTLIER -65.38 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 1.0 108.295 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -41.49 -27.45 0.29 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.49 1.119 . . . . 1.0 111.041 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 64' ' ' LYS . 19.9 mm-40 -72.22 -44.48 62.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 1.0 110.357 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.2 m -86.34 -47.07 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 1.0 108.308 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 65' ' ' CYS . 98.3 m-70 -92.12 143.12 26.76 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.756 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 113.22 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.282 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.983 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.777 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.893 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -158.82 -58.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.457 ' CG ' ' NZ ' ' A' ' 14' ' ' LYS . 57.1 m-20 -102.58 129.79 49.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 mt -116.63 109.35 27.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 1.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.8 t -86.03 123.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB3' ' CGD' ' A' ' 103' ' ' HEC . 7.2 mt -104.69 78.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.3 mttt -37.0 123.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -129.31 155.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 1.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -33.47 51.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 1.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 6.6 t30 -109.46 68.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 81.83 141.97 3.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 1.0 111.077 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.23 172.67 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 1.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 97.9 t -129.59 111.9 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 1.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' NZ ' ' CG ' ' A' ' 3' ' ' ASP . 2.5 tptm -89.34 89.79 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE1' ' C1B' ' A' ' 102' ' ' HEC . 16.3 t80 -102.85 117.4 60.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 90.8 Cg_endo -86.1 90.0 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.33 3.354 . . . . 1.0 109.624 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' ' N ' ' A' ' 20' ' ' HIS . 51.6 t-80 -58.75 -57.8 11.41 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.069 0.856 . . . . 1.0 109.741 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.32 -36.66 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.596 1.185 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -69.34 -34.05 74.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.7 m80 -87.31 19.72 3.11 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.836 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 21' ' ' GLN . 1.4 pp0? -109.82 4.65 21.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 1.0 110.351 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -140.84 18.12 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 109.325 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.61 10.68 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 1.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.1 OUTLIER -136.81 86.72 21.07 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 1.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.7 Cg_exo -33.17 -46.25 0.32 Allowed 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 124.317 3.345 . . . . 1.0 109.632 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -123.83 100.63 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 1.0 109.267 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.737 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 0.5 OUTLIER -52.23 -173.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 108.383 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 15.5 mtpt 71.45 18.28 5.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CD ' HBC1 ' A' ' 102' ' ' HEC . 14.3 ttmm -78.46 -46.88 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.564 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -92.16 -53.03 4.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 108.329 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' LYS . 90.5 m-70 -61.52 -55.64 28.85 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.796 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 12.2 tt0 68.3 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 110.238 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -69.39 -76.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 1.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.36 -176.06 32.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.555 1.159 . . . . 1.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -70.38 -159.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.57 164.29 7.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.575 1.172 . . . . 1.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.12 122.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 1.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.656 ' O ' ' C ' ' A' ' 39' ' ' GLU . 31.1 mt -69.95 135.41 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.656 ' C ' ' O ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -9.73 86.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 110.331 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 27.16 70.16 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.135 . . . . 1.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.605 ' CD1' ' O1D' ' A' ' 101' ' ' HEC . 59.1 t80 -59.33 118.6 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 1.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.77 179.61 19.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.6 OUTLIER -60.14 -40.73 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' N ' ' A' ' 45' ' ' MET . 11.1 pm0 -51.87 -42.23 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.493 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -64.8 -44.48 89.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 1.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.699 ' HB1' ' C1D' ' A' ' 103' ' ' HEC . . . -44.56 -33.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -116.39 30.63 7.22 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.789 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.04 -132.45 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 1.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 46.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.04 39.62 0.46 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.633 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.7 OUTLIER 179.04 -73.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.89 ' CG ' HG22 ' A' ' 63' ' ' THR . 2.2 ttpt -89.39 -50.81 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.96 -40.91 0.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 1.0 110.989 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -57.96 -77.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.251 -1.018 . . . . 1.0 108.251 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.633 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 12.2 m80 -35.5 -46.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.06 -0.973 . . . . 1.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -52.19 -47.25 65.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 1.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -86.97 -49.48 7.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.41 -19.6 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 111.015 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.18 13.67 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 58' ' ' MET . 1.3 ptpm? -133.2 130.75 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 1.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.18 168.96 15.75 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.486 1.116 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.741 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 87.4 Cg_endo -87.58 141.41 5.58 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.268 3.312 . . . . 1.0 109.584 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.89 HG22 ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -121.02 -14.14 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.402 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.8 mttt -67.44 153.68 43.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 1.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.62 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 108.276 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -40.96 -25.3 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.549 1.155 . . . . 1.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' CYS . 71.4 mm-40 -75.61 -44.82 40.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 1.0 110.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -85.38 -44.5 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 1.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.2 m-70 -97.71 148.32 23.45 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.075 -0.966 . . . . 1.0 109.804 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.13 118.69 35.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 1.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 1.0 109.339 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.837 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.741 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.902 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -112.02 -49.26 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -107.37 132.74 52.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 1.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.469 HG13 ' HB2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -122.3 116.18 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 1.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.12 126.5 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 7' ' ' LYS . 11.7 mt -99.07 83.79 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -37.32 113.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.557 ' HB2' HBD2 ' A' ' 103' ' ' HEC . . . -118.52 156.11 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 1.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -89.73 -4.49 57.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 10.2 t30 -141.93 67.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 1.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 82.67 123.55 0.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.82 169.92 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 1.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.5 120.23 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -84.96 97.11 9.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' CD1' ' C2B' ' A' ' 102' ' ' HEC . 21.4 t80 -110.71 109.0 57.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 1.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 97.3 Cg_endo -84.31 97.06 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.324 3.349 . . . . 1.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 42.2 t-80 -63.63 -57.38 10.26 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.123 0.89 . . . . 1.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.49 -26.7 1.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.065 . . . . 1.0 109.349 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -78.19 -40.34 37.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 1.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' HIS . 27.3 m80 -81.09 15.97 1.69 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.758 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.658 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -101.05 -11.85 19.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 1.0 110.246 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.38 -26.58 7.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 1.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB2' ' O2D' ' A' ' 102' ' ' HEC . . . -68.36 -7.12 28.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG21 HMC2 ' A' ' 101' ' ' HEC . 0.6 OUTLIER -130.36 115.33 17.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 109.303 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' VAL . 11.1 Cg_exo -32.04 -70.09 0.05 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.362 3.375 . . . . 1.0 109.623 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 27' ' ' CYS . 24.3 t0 -134.29 34.14 3.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 1.0 109.303 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.854 ' HB2' HMC3 ' A' ' 101' ' ' HEC . 29.2 p 36.33 -142.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER 80.88 -9.63 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -72.13 -36.53 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 1.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.08 -37.35 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CE1' ' ND ' ' A' ' 101' ' ' HEC . 40.1 m-70 -94.98 51.34 1.35 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.77 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -41.12 -56.68 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -56.54 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 1.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.39 176.76 40.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.603 1.189 . . . . 1.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -57.88 -157.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.19 -157.76 35.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 1.0 110.994 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -85.77 128.71 34.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 0.776 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 40' ' ' GLY . 34.9 mt -69.71 134.48 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 1.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -34.09 93.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 1.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 25.82 86.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.48 1.112 . . . . 1.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.5 t80 -53.43 149.05 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 1.0 110.991 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -135.97 159.02 24.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.463 1.102 . . . . 1.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -68.77 -54.42 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 9.4 pm0 -44.33 -36.4 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.433 1.083 . . . . 1.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -40.91 74.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 1.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' HB2' ' A' ' 51' ' ' CYS . . . -46.68 -65.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -63.83 -12.9 40.1 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.761 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -71.65 -125.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.519 1.137 . . . . 1.0 110.954 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 12.7 tttp -116.99 47.92 1.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 0.821 . . . . 1.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.15 27.13 0.89 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.512 ' HA ' ' CHC' ' A' ' 102' ' ' HEC . 0.5 OUTLIER -171.6 -68.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -91.35 -56.88 2.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 1.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.99 -49.45 0.42 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.516 1.135 . . . . 1.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -49.22 -69.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 16.6 m170 -40.56 -47.47 2.7 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.755 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.69 -38.05 80.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 1.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' CYS . 4.0 tt0 -96.3 5.66 50.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -124.91 2.8 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 111.007 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 55' ' ' HIS . 30.9 mtpt 39.59 29.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 1.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -140.31 143.8 36.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 177.15 35.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.451 1.094 . . . . 1.0 111.001 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 20.5 Cg_endo -92.15 142.51 2.53 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.326 3.351 . . . . 1.0 109.617 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.495 ' O ' HMC2 ' A' ' 103' ' ' HEC . 24.1 p -117.39 -25.78 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 1.0 110.421 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.0 OUTLIER -61.6 157.12 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 1.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.85 -64.81 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 1.0 108.281 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 1.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 65' ' ' CYS . 5.9 mm-40 -73.76 -43.03 60.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 0.752 . . . . 1.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.545 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -87.33 -48.44 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 108.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.7 m-70 -92.42 152.13 19.87 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.771 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -130.39 119.25 22.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 1.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 1.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.975 HMB1 HBB3 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.75 ' O2D' ' HB2' ' A' ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.872 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 176.6 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -116.04 126.83 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 1.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.59 106.94 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 52.9 t -86.2 125.29 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 1.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' LYS . 5.6 mt -101.74 78.49 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 1.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.2 ptpt -36.17 121.54 0.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 1.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -123.05 161.21 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -85.98 -22.52 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 1.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.2 t30 -125.16 66.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.882 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 87.35 135.21 4.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 1.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.81 172.1 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 1.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 76.3 t -124.84 130.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -97.4 93.39 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 1.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' CE2' HBB2 ' A' ' 102' ' ' HEC . 5.0 t80 -107.8 109.61 62.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 94.3 Cg_endo -81.11 91.91 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.307 . . . . 1.0 109.662 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.603 ' CE1' ' NE2' ' A' ' 21' ' ' GLN . 32.4 t-80 -59.88 -57.85 11.09 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.179 0.925 . . . . 1.0 109.825 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -44.67 -34.51 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 1.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -71.6 -42.66 67.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.2 m80 -83.54 19.44 1.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.758 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.603 ' NE2' ' CE1' ' A' ' 17' ' ' HIS . 0.8 OUTLIER -106.88 6.27 29.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 1.0 110.265 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -160.62 41.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.32 -50.36 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.0 t -82.72 114.47 52.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 1.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -43.56 -63.22 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.267 3.311 . . . . 1.0 109.651 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' C ' ' N ' ' A' ' 28' ' ' LYS . 29.4 t0 -100.16 70.14 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' CA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -41.15 -29.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -51.52 -20.89 2.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.632 ' HD3' HBC1 ' A' ' 102' ' ' HEC . 2.3 ttmm -40.87 -54.79 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 1.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -78.65 -42.73 27.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' LYS . 42.4 m-70 -97.88 58.22 1.37 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.08 -0.964 . . . . 1.0 109.766 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt-10 -56.93 -48.01 79.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 110.23 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -76.18 -59.6 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 1.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.14 178.47 48.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.398 1.061 . . . . 1.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.25 137.06 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.277 3.318 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.37 -158.29 27.6 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 1.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.81 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 1.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLY . 97.3 mt -50.82 132.48 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.12 . . . . 1.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -36.53 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 26.63 85.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 1.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -63.05 104.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 0.807 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.27 178.86 53.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.42 1.075 . . . . 1.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -78.26 -60.74 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 1.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -39.38 -43.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 1.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -43.07 61.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 1.0 110.987 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 51' ' ' CYS . . . -50.85 -67.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -63.41 -11.21 21.22 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.769 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.94 -134.93 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -106.55 47.92 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 1.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.0 35.11 0.73 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.587 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.6 OUTLIER 178.19 -74.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.9 -52.33 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 1.0 109.293 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.69 -59.21 0.7 Allowed Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.425 1.078 . . . . 1.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' GLU . 13.2 t -43.81 -66.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 21.5 m170 -42.13 -46.11 4.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -36.39 80.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 1.0 110.257 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.5 tt0 -81.71 -57.78 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' CYS . 1.1 tpp -64.71 -11.89 40.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 55' ' ' HIS . 55.5 mttt 58.14 17.68 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.24 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.4 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 1.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.16 175.21 34.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 1.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 3.6 Cg_exo -81.96 146.58 14.61 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.284 3.323 . . . . 1.0 109.633 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.69 -3.3 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 1.0 110.419 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' O ' HMC3 ' A' ' 103' ' ' HEC . 11.1 mttt -84.6 159.22 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.8 OUTLIER -68.64 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 1.0 108.306 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.78 -25.32 0.32 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.482 1.114 . . . . 1.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 7.9 mm-40 -72.9 -41.55 64.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 1.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.2 m -91.64 -47.45 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 1.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.0 m-70 -93.64 167.81 11.43 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.738 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 17.3 mttm 69.71 104.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 1.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 1.001 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.798 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.339 -0.615 . . . . 1.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -170.54 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.274 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -97.55 125.7 42.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 1.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.84 108.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.5 t -89.53 117.01 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' C ' ' O1D' ' A' ' 103' ' ' HEC . 10.9 mt -98.2 79.03 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.574 1.171 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CGD' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -43.13 123.68 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.842 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -116.67 177.25 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -100.22 -3.23 31.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 1.0 109.22 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -147.7 55.08 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 1.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.842 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.24 130.63 7.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 1.0 111.065 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.68 177.48 6.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 1.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.466 HG11 HMD3 ' A' ' 103' ' ' HEC . 71.4 t -133.33 117.66 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 1.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.79 89.62 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CE1' ' C4B' ' A' ' 102' ' ' HEC . 9.9 t80 -100.81 115.66 65.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 1.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 86.8 Cg_endo -85.07 90.27 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.335 3.357 . . . . 1.0 109.648 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 20' ' ' HIS . 61.9 t-80 -62.69 -63.26 1.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.161 0.913 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -35.45 -35.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' HIS . . . -71.46 -46.75 59.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' N ' ' O ' ' A' ' 17' ' ' HIS . 26.6 m80 -74.28 5.63 4.34 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.047 -0.978 . . . . 1.0 109.773 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' NE2' ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -88.7 9.56 23.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 49.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 1.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -152.85 28.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 1.0 109.285 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ASP . 0.2 OUTLIER -148.52 103.19 3.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -37.03 -29.73 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.295 3.33 . . . . 1.0 109.646 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -126.45 94.93 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.56 ' SG ' ' HHC' ' A' ' 101' ' ' HEC . 4.1 t -51.25 -23.84 3.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 1.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 20.2 11.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 26' ' ' ASP . 4.8 ttmm -63.87 -42.77 97.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.2 OUTLIER -94.89 -57.2 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 1.0 108.341 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' LYS . 89.6 m-70 -59.54 -59.1 5.99 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.735 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 63.07 -71.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.639 1.212 . . . . 1.0 110.298 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 31' ' ' HIS . 6.9 mttm -62.11 -71.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.86 -175.37 34.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.425 1.078 . . . . 1.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -86.46 179.48 3.48 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.26 3.307 . . . . 1.0 109.584 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.71 -167.28 21.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 1.0 110.986 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.35 91.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 0.782 . . . . 1.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.1 mt -36.54 136.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 1.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -33.11 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 1.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 30.31 84.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 1.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 2.1 t80 -60.18 143.45 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 0.805 . . . . 1.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -129.47 156.92 21.56 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 1.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' CAD' ' A' ' 103' ' ' HEC . 0.1 OUTLIER -72.17 -57.92 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.796 . . . . 1.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.07 -40.98 0.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 1.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.4 tpp -64.69 -40.2 94.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 1.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -47.51 -65.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 1.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.61 -11.63 18.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.712 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -86.28 -135.51 4.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 1.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 5.3 tttt -98.26 55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 1.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.24 28.46 0.39 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 1.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER 178.37 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.328 -0.989 . . . . 1.0 108.328 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' GLY . 6.7 ttpt -81.43 -49.33 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 1.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' GLU . . . -35.69 -66.42 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' MET . 2.1 t -36.94 -63.45 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -45.85 -46.2 15.52 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.747 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLY . 5.4 tt0 -72.78 -21.07 61.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 1.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -88.12 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.54 ' HB3' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.68 -19.54 65.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 111.056 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.55 46.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.54 ' CG ' ' HB3' ' A' ' 58' ' ' MET . 0.1 OUTLIER -155.94 132.05 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.96 176.18 18.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 1.0 111.02 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.86 ' HG2' HMA3 ' A' ' 102' ' ' HEC . 4.2 Cg_exo -81.56 137.87 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.284 3.323 . . . . 1.0 109.601 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.539 ' O ' HMC2 ' A' ' 103' ' ' HEC . 1.2 p -116.95 -34.78 4.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 110.395 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.617 ' O ' HMC3 ' A' ' 103' ' ' HEC . 13.9 mmtm -57.5 158.06 6.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.13 . . . . 1.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 68' ' ' CYS . 0.3 OUTLIER -68.32 -62.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 108.345 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.31 -26.33 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 1.0 111.042 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 62' ' ' PRO . 7.6 mm-40 -71.37 -40.9 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.507 0.769 . . . . 1.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.3 m -91.83 -49.65 6.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 1.089 . . . . 1.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.1 m-70 -90.54 138.37 31.61 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.727 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -92.24 99.9 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 1.0 109.281 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 109.258 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.596 HBC1 HMC2 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 1.038 HBC3 HMC1 ' A' ' 102' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.863 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -88.76 -72.49 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 1.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -90.79 124.33 35.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.0 mt -103.01 112.03 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 1.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG13 ' OD1' ' A' ' 12' ' ' ASP . 53.4 t -82.0 126.6 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.52 82.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 1.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -42.77 121.0 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.92 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -120.97 155.61 33.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 1.0 109.372 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 25.6 tttt -92.04 36.82 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 1.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 18.6 t30 173.96 52.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 1.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.92 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.96 129.6 6.53 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.435 1.084 . . . . 1.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.722 ' OD1' HG13 ' A' ' 5' ' ' VAL . 11.2 t0 -75.41 167.33 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 1.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.8 t -131.3 108.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.66 111.15 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -124.61 124.54 25.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 1.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HB2' ' CB ' ' A' ' 19' ' ' ALA . 89.8 Cg_endo -83.21 96.77 0.81 Allowed 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.362 3.374 . . . . 1.0 109.647 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t-80 -66.67 -64.13 0.92 Allowed 'General case' 0 CA--C 1.54 0.593 0 O-C-N 124.183 0.927 . . . . 1.0 109.711 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -41.16 -28.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 1.0 109.258 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 17' ' ' HIS . . . -76.32 -46.6 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 1.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.1 m80 -69.54 -3.91 16.79 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.729 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -88.97 14.14 11.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 1.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -146.28 20.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.28 2.92 8.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASP . 1.4 t -125.2 81.14 63.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -36.18 -30.68 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.333 3.356 . . . . 1.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' VAL . 4.4 t70 -130.4 86.73 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 1.0 109.33 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 38.1 t -56.06 165.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 1.0 108.25 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' CYS . 1.6 mttm 89.69 24.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 1.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -90.05 -35.06 15.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 1.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.477 ' SG ' HMC1 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -97.21 -56.86 2.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 1.0 108.261 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLU . 60.6 m-70 -47.57 -64.8 0.69 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.968 -1.015 . . . . 1.0 109.813 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.756 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 52.52 103.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 1.0 110.268 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.756 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 8.5 mttm 115.93 -46.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.42 -177.11 41.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 1.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.95 -153.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.242 3.295 . . . . 1.0 109.611 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.76 -164.55 48.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.54 113.93 10.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 1.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.4 mt -53.26 133.94 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 1.0 109.264 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.5 tm-20 -37.3 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 1.0 110.29 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 39' ' ' GLU . . . 28.53 88.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.547 1.155 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 3.2 t80 -57.78 151.44 17.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 1.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.571 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -132.47 156.19 21.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' CD ' HAD1 ' A' ' 103' ' ' HEC . 0.1 OUTLIER -74.09 -54.6 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 1.0 109.288 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -44.11 -39.09 4.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 1.0 110.343 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -34.94 79.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 1.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -51.6 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -63.3 -12.42 29.46 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.023 -0.989 . . . . 1.0 109.756 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 53' ' ' GLY . . . -78.14 -127.45 0.43 Allowed Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.527 1.142 . . . . 1.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.68 48.19 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 1.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 31.81 0.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 1.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.64 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 178.92 -67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.274 -1.009 . . . . 1.0 108.274 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' GLY . 8.2 ttpp -89.2 -60.01 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.02 -55.28 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 1.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -41.42 -61.12 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 51' ' ' CYS . 19.0 m170 -52.51 -43.35 65.03 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -59.91 -29.92 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.397 1.06 . . . . 1.0 110.312 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.05 -55.21 3.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 1.0 110.355 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -9.9 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 1.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' HIS . 2.5 mttm 56.95 17.5 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 144.67 49.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.59 175.8 31.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 1.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.545 ' HD3' ' C2A' ' A' ' 102' ' ' HEC . 57.6 Cg_endo -95.53 145.21 1.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.365 3.377 . . . . 1.0 109.586 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' HMC2 ' A' ' 103' ' ' HEC . 69.4 p -119.99 -8.87 9.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 110.416 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.652 ' O ' HMC3 ' A' ' 103' ' ' HEC . 8.6 mmtt -70.14 155.73 40.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.27 -62.84 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 108.327 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.02 -24.38 0.18 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 1.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' CYS . 6.0 mm-40 -75.12 -44.55 46.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 0.727 . . . . 1.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.522 ' SG ' HMB3 ' A' ' 102' ' ' HEC . 1.8 m -87.6 -49.61 7.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 108.257 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' CYS . 99.3 m-70 -90.26 157.78 17.51 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.777 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.49 122.93 27.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.988 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.545 ' C2A' ' HD3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.886 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -71.66 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.23 126.02 34.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.625 HD11 ' O1A' ' A' ' 101' ' ' HEC . 4.0 mt -108.65 112.04 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 1.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.12 126.01 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 1.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' LYS . 13.8 mt -102.82 79.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 1.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.9 110.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.148 . . . . 1.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -108.69 169.02 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HB2' ' CGA' ' A' ' 103' ' ' HEC . 0.0 OUTLIER -94.94 -11.13 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 1.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 12.6 t30 -139.81 62.32 1.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 1.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 95.93 133.39 7.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.371 1.044 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 171.28 14.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 0.729 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 68' ' ' CYS . 68.3 t -127.74 127.93 68.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.075 . . . . 1.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.61 105.89 17.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 1.0 109.236 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' HMB2 ' A' ' 102' ' ' HEC . 72.9 t80 -123.9 118.18 27.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 91.1 Cg_endo -82.97 89.15 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.286 3.324 . . . . 1.0 109.616 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' HIS . 59.3 t-80 -57.73 -55.05 39.85 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.22 0.95 . . . . 1.0 109.776 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -47.53 -33.7 6.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 16' ' ' PRO . . . -72.94 -34.38 66.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' HIS . 36.8 m80 -84.59 24.68 0.98 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.762 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 2.1 tm0? -105.63 2.4 28.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.37 45.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' O ' HMD2 ' A' ' 102' ' ' HEC . . . -145.76 17.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 1.0 109.227 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 23' ' ' ALA . 3.5 t -152.62 96.4 2.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -35.41 -33.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.265 3.31 . . . . 1.0 109.639 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 29' ' ' LYS . 9.3 t0 -128.02 82.92 2.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 1.0 109.33 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.642 ' HA ' HMC3 ' A' ' 101' ' ' HEC . 0.0 OUTLIER -51.69 -20.44 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 1.0 108.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -76.66 4.4 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 1.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -62.71 -41.38 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -60.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 1.0 108.31 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -64.07 -67.68 0.41 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.77 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 8.9 tt0 76.45 42.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 1.0 110.284 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 87.02 83.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 1.0 109.338 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.25 66.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.434 1.084 . . . . 1.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 36' ' ' GLY . 9.6 Cg_endo -48.74 -50.98 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.283 3.322 . . . . 1.0 109.614 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 37' ' ' LYS . . . -42.59 169.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 1.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -34.14 141.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 1.0 109.22 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' GLY . 3.8 mt -77.76 139.06 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.051 . . . . 1.0 109.307 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -39.06 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 31.15 92.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.1 . . . . 1.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 31.8 t80 -45.77 163.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 1.0 110.991 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.588 ' O ' ' CE1' ' A' ' 41' ' ' PHE . . . -139.15 153.38 22.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.715 ' NZ ' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -70.66 -74.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 1.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 45' ' ' MET . 3.2 pm0 -37.6 -42.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 110.312 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.474 ' N ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -53.18 -39.21 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -56.13 -67.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 1.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.715 ' CE1' ' NZ ' ' A' ' 43' ' ' LYS . 55.6 m170 -59.96 -13.86 13.17 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.783 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 53' ' ' GLY . . . -85.94 -148.25 11.15 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 1.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.11 48.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 1.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.28 18.42 1.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 1.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -175.41 -74.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLY . 17.7 ttpt -85.21 -54.23 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 1.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . -33.43 -44.77 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 1.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -55.07 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' CE1' ' NB ' ' A' ' 102' ' ' HEC . 17.6 m170 -36.32 -47.02 0.57 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.773 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -51.13 -44.69 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 1.0 110.236 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -88.67 -47.81 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.549 ' HG2' HMD3 ' A' ' 102' ' ' HEC . 0.0 OUTLIER -55.08 -19.2 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 1.0 110.998 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.35 13.78 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -136.5 131.22 33.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.53 168.75 14.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 1.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.889 ' HG3' HMA3 ' A' ' 102' ' ' HEC . 90.0 Cg_endo -88.91 142.42 4.68 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 1.0 109.544 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' HMC2 ' A' ' 103' ' ' HEC . 63.5 p -119.41 -18.38 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 1.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.656 ' O ' HMC3 ' A' ' 103' ' ' HEC . 0.9 OUTLIER -61.87 154.76 25.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -69.73 -62.56 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 1.0 108.339 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -42.81 -24.43 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.567 1.167 . . . . 1.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 64' ' ' LYS . 23.2 mm-40 -75.49 -41.86 54.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 1.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 1.7 m -89.87 -51.63 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 1.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 65' ' ' CYS . 97.3 m-70 -91.01 138.7 31.4 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.815 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 133.21 35.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 1.0 109.257 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.347 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HEC . . . . . 0.991 HBB2 HMB1 ' A' ' 101' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HEC . . . . . 0.889 HMA3 ' HG3' ' A' ' 62' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HEC . . . . . 0.861 HMB1 HBB3 ' A' ' 103' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_