data_1ugj_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 1ugj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 HD12 ' CD1' ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' CD2' HD13 ' A' ' 57' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CD2' HG22 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 48' ' ' ILE . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CE1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' THR . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.485 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' VAL . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.527 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.475 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.431 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 110' ' ' THR . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.471 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 130' ' ' LEU . 8.7 p-80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 44' ' ' ILE . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.582 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' HD22 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 60' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 124' ' ' PHE . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 58' ' ' ILE . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG22 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 ' N ' ' CG2' ' A' ' 90' ' ' THR . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.567 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.501 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.473 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.567 ' HE1' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.429 ' CG2' HG11 ' A' ' 91' ' ' VAL . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' ALA . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.537 ' CE1' HD23 ' A' ' 45' ' ' LEU . 1.3 t-80 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.588 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.2 m170 -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.9 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 48' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 70' ' ' LEU . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 58' ' ' ILE . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' NE ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 48' ' ' ILE . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.581 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD21 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' THR . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.4 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.484 ' HD3' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 110' ' ' THR . 2.4 m-80 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.502 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.467 ' CG2' ' OE1' ' A' ' 78' ' ' GLU . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.533 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.427 ' CG1' HD22 ' A' ' 57' ' ' LEU . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.1 p-80 -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 45' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.9 tt0 -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 70' ' ' LEU . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.554 ' CE1' HD22 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 20' ' ' LYS . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 ' CE1' ' A' ' 71' ' ' TYR . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 48' ' ' ILE . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.594 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.506 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.452 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.512 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.572 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' ILE . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.533 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.567 ' CE1' HD21 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.533 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.523 HG21 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CG ' HG21 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.492 HG21 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 90' ' ' THR . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 127' ' ' GLN . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.593 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.556 ' ND2' ' HE ' ' A' ' 108' ' ' ARG . 1.5 m-80 -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HE ' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.542 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.486 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 129' ' ' HIS . 29.9 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.579 ' CD2' HD11 ' A' ' 130' ' ' LEU . 3.5 p-80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' ALA . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 44' ' ' ILE . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 57' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 55' ' ' HIS . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 48' ' ' ILE . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.484 HG22 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.402 ' CD2' HD21 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 91' ' ' VAL . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 ' N ' HG22 ' A' ' 90' ' ' THR . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.403 ' CZ ' ' HD2' ' A' ' 102' ' ' TYR . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' A' ' 57' ' ' LEU . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 73.0 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' HIS . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.0 m170 -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 71' ' ' TYR . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 48' ' ' ILE . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.482 HG22 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' CD2' HD22 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' ' CG2' ' A' ' 90' ' ' THR . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 78' ' ' GLU . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.414 ' HE1' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 44' ' ' ILE . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 67' ' ' PHE . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 27' ' ' LEU . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.573 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 72' ' ' THR . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.555 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.517 ' CD1' HD22 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.51 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.572 HG21 ' CE2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 124' ' ' PHE . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 91' ' ' VAL . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.423 ' N ' HG23 ' A' ' 90' ' ' THR . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.432 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.501 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.463 ' HE2' ' CG2' ' A' ' 99' ' ' ILE . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 80' ' ' LEU . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 97' ' ' GLU . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 28.9 t-80 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' A' ' 25' ' ' ASN . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.3 m170 -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 67' ' ' PHE . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' SER . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.451 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 20' ' ' LYS . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CG ' ' HG ' ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.648 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' CD2' HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 127' ' ' GLN . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.407 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.558 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 130' ' ' LEU . 6.6 p-80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.425 ' OD1' ' CD2' ' A' ' 55' ' ' HIS . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ALA . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' N ' HD11 ' A' ' 44' ' ' ILE . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CG2' ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' A' ' 72' ' ' THR . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 92' ' ' THR . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.42 ' N ' HG11 ' A' ' 91' ' ' VAL . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.441 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' GLN . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 129' ' ' HIS . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.511 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HD13 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 44' ' ' ILE . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.2 m170 -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.584 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.511 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.554 ' CE1' ' CE ' ' A' ' 119' ' ' MET . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE2' ' HD3' ' A' ' 20' ' ' LYS . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.584 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' CD2' HD22 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.502 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.531 ' CD2' HD12 ' A' ' 130' ' ' LEU . 17.8 p-80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 69.1 m95 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.565 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.2 t-80 -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' A' ' 44' ' ' ILE . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 27' ' ' LEU . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CG2' ' A' ' 72' ' ' THR . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.533 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 58' ' ' ILE . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.602 ' CG2' ' CE1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' THR . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.477 HG22 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD23 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.419 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.605 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.599 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.515 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' HD12 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' HIS . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.457 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 44' ' ' ILE . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m170 -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.0 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CD2' HG22 ' A' ' 72' ' ' THR . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.566 HG23 ' CE1' ' A' ' 60' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 58' ' ' ILE . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.58 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 124' ' ' PHE . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.448 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HG3' ' CB ' ' A' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 124' ' ' PHE . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.407 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 92.7 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.433 ' N ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.6 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 48' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CZ ' ' C ' ' A' ' 69' ' ' ALA . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 57' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.532 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.446 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HD3' ' CB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.405 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.406 ' CG ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.594 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD13 ' CD ' ' A' ' 41' ' ' LYS . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 HG12 ' CD2' ' A' ' 70' ' ' LEU . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.558 ' CD2' HD12 ' A' ' 57' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CE1' HG22 ' A' ' 58' ' ' ILE . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CD2' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 HD22 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.41 ' O ' HG11 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.433 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.594 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.463 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 1.7 mt-30 -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' HIS . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 25' ' ' ASN . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.4 m-70 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CG ' HD11 ' A' ' 45' ' ' LEU . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.529 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.56 ' CE1' HD21 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LEU . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.467 HG22 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' THR . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 111' ' ' GLN . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 110' ' ' THR . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.497 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 130' ' ' LEU . 22.0 p-80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.537 HD12 ' CD2' ' A' ' 129' ' ' HIS . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.467 ' CE1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' N ' HD11 ' A' ' 44' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD22 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 72' ' ' THR . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 55' ' ' HIS . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' N ' HG11 ' A' ' 91' ' ' VAL . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.466 ' CE ' HD23 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.602 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.428 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.435 ' CD1' HD22 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 129' ' ' HIS . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 15.8 t-80 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' CYS . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.612 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CE1' HD22 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CZ ' ' CG2' ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 58' ' ' ILE . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 124' ' ' PHE . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.45 ' N ' ' CG2' ' A' ' 90' ' ' THR . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.591 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.468 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.407 ' HE2' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.428 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.411 ' CH2' HD23 ' A' ' 59' ' ' LEU . 75.5 m95 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.407 ' N ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 67' ' ' PHE . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' HB3' ' N ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 48' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 72' ' ' THR . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD21 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.502 HG21 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD22 ' CE1' ' A' ' 71' ' ' TYR . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 32' ' ' LEU . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 27.6 m120 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.407 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.476 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.417 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' HD11 ' A' ' 130' ' ' LEU . 36.7 p-80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.578 HD11 ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 7.7 t-80 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 44' ' ' ILE . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' SG ' ' A' ' 31' ' ' CYS . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.496 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 27' ' ' LEU . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD22 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.579 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.494 HG23 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.43 HD23 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.434 ' CD2' HD22 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.412 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.446 ' CE ' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.462 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -143.37 96.36 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 167.58 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.03 119.39 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.69 166.39 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.79 171.45 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.22 -113.11 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -129.4 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.41 -147.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.09 91.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -129.43 132.93 47.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -40.38 152.34 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.98 19.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 p -137.43 107.79 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 99.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -131.42 33.49 4.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -40.36 142.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 HD12 ' CD1' ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' CD2' HD13 ' A' ' 57' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -77.93 -41.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 169.85 106.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 68.53 84.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' SER . 11.4 p 36.7 46.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 61' ' ' ARG . 1.2 t -91.58 72.16 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . 5.7 mt-30 48.83 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.228 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CD2' HG22 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 48' ' ' ILE . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CE1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' THR . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.485 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' VAL . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.527 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.475 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.431 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 110' ' ' THR . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.471 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 130' ' ' LEU . 8.7 p-80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -53.55 -63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -52.35 162.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 142.92 33.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -170.44 -64.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -173.63 173.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.0 m -165.06 144.35 6.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.74 8.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.48 6.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.6 p -164.7 122.9 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.055 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.1 m -159.6 -53.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.73 109.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.55 163.21 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.88 -153.8 7.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m 61.96 132.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 160.58 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 -146.53 18.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 107.17 2.42 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -39.37 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.21 134.1 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.75 98.24 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 138.37 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.4 153.59 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -177.63 3.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 77.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 91.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -161.88 38.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' LYS . 72.9 m -39.22 142.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 44' ' ' ILE . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.4 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.582 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' HD22 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 60' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 124' ' ' PHE . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 58' ' ' ILE . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -95.98 -30.64 13.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -137.62 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' SER . 68.6 p -177.5 116.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 31.0 t 39.05 49.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.2 t -109.88 -73.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -143.83 140.32 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.535 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG22 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' N ' ' CG2' ' A' ' 90' ' ' THR . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.567 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.501 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.473 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.567 ' HE1' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.429 ' CG2' HG11 ' A' ' 91' ' ' VAL . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -63.74 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.78 105.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.3 m 69.86 140.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -90.58 147.5 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.27 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.1 t -80.75 -52.93 6.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -126.19 169.82 18.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 p -166.44 146.75 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.67 160.39 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.16 170.5 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.0 167.49 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.88 45.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -74.05 167.82 20.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.0 108.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.08 -170.97 36.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.65 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -73.87 105.16 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.0 mt -82.44 131.75 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.49 -175.27 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttm 62.62 138.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.39 153.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.31 100.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.07 162.06 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -176.44 105.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -83.12 146.93 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 26' ' ' ALA . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.537 ' CE1' HD23 ' A' ' 45' ' ' LEU . 1.3 t-80 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.588 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.2 m170 -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.9 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 48' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD23 ' CE1' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 70' ' ' LEU . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' O ' ' A' ' 65' ' ' CYS . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -84.52 48.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.5 113.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m 40.05 35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -105.18 -42.1 5.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER 83.07 -54.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.23 114.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 48' ' ' ILE . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD21 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' THR . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.46 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.484 ' HD3' ' CG2' ' A' ' 110' ' ' THR . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 110' ' ' THR . 2.4 m-80 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.502 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.467 ' CG2' ' OE1' ' A' ' 78' ' ' GLU . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.533 ' HE2' ' CE1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.427 ' CG1' HD22 ' A' ' 57' ' ' LEU . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.1 p-80 -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -65.94 -63.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -55.54 102.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.53 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 -176.88 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.61 126.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 65.4 p -160.55 151.04 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -37.88 104.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.18 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -63.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.92 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 67.38 166.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 170.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.31 -157.87 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.42 145.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.37 158.14 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -166.97 38.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.17 3.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -111.18 99.11 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -80.29 132.9 35.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.9 140.73 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.46 152.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 154.0 44.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.72 4.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 m -75.73 100.48 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.85 142.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.76 133.57 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.77 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.947 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' A' ' 45' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.9 tt0 -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 70' ' ' LEU . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.554 ' CE1' HD22 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 20' ' ' LYS . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 HD22 ' CE1' ' A' ' 71' ' ' TYR . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -41.04 -41.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -164.84 -63.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -179.2 73.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.73 31.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.0 m 44.76 71.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -138.43 77.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 48' ' ' ILE . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.554 HD22 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.567 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.594 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.506 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.506 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.452 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.512 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.572 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -50.07 -49.83 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -51.05 -55.77 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 6.44 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -115.76 128.04 55.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -134.36 -51.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 124.03 98.12 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.68 9.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -168.18 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -87.89 170.59 11.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -175.7 168.92 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 168.82 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.54 172.61 44.99 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -161.03 73.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -169.4 130.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.06 107.84 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 135.0 18.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.79 -162.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 86.44 129.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -37.8 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.41 155.18 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -92.75 154.66 42.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.93 115.62 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 177.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 143.35 43.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.57 120.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.031 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' ILE . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.533 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.567 ' CE1' HD21 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.533 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -171.84 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.37 76.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -166.6 30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 44.04 66.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 108.242 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -135.78 78.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.523 HG21 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.492 ' CG ' HG21 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.492 HG21 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 90' ' ' THR . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 127' ' ' GLN . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.593 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.556 ' ND2' ' HE ' ' A' ' 108' ' ' ARG . 1.5 m-80 -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HE ' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.542 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.486 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 129' ' ' HIS . 29.9 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.579 ' CD2' HD11 ' A' ' 130' ' ' LEU . 3.5 p-80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLN . 66.7 m95 -60.61 -44.34 96.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 133' ' ' SER . 0.1 OUTLIER -37.67 -67.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 132' ' ' GLN . 0.4 OUTLIER 165.6 -29.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -45.8 150.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.5 p -131.25 48.38 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.79 79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 m -165.36 90.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.1 t -108.0 -55.27 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.6 113.24 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.28 123.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.18 151.89 24.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -164.65 169.43 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 169.8 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.32 110.58 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 154.84 42.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -146.51 157.43 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -143.18 133.09 24.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.19 170.93 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 156.11 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.13 152.29 46.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.94 -172.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' PRO . 1.4 m 38.78 59.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.92 175.5 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -158.59 141.95 14.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p -121.37 133.42 55.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' ALA . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 44' ' ' ILE . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.556 ' CD2' HD13 ' A' ' 57' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 55' ' ' HIS . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -93.82 -43.58 8.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -121.66 -65.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 92.4 p -174.93 115.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.523 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 46.1 m 39.39 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.12 -76.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -127.55 157.86 39.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 48' ' ' ILE . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.484 HG22 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' CD2' HD21 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 91' ' ' VAL . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 ' N ' HG22 ' A' ' 90' ' ' THR . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.403 ' CZ ' ' HD2' ' A' ' 102' ' ' TYR . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.507 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' A' ' 57' ' ' LEU . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 73.0 m95 -51.25 -61.32 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -42.52 -53.75 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.74 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.063 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -173.08 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.01 122.27 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -96.11 166.99 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.0 96.64 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.16 6.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.3 t -173.6 176.16 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.89 156.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -101.1 158.59 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 163.91 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.32 109.69 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -171.3 171.19 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.4 m -46.55 167.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.82 98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.85 24.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 66.32 179.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.66 -167.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.77 159.53 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.96 151.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -80.68 153.73 73.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.43 -134.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.76 133.87 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 116.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -138.71 148.11 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' HIS . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.0 m170 -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 71' ' ' TYR . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 64' ' ' SER . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -33.88 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -150.05 -53.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.41 ' HA ' ' CG2' ' A' ' 125' ' ' THR . 14.4 m -166.95 112.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.535 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 78.4 p 40.18 48.71 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -87.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -138.56 135.61 35.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 48' ' ' ILE . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.482 HG22 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' CD2' HD22 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.442 ' N ' ' CG2' ' A' ' 90' ' ' THR . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HG3' ' CB ' ' A' ' 78' ' ' GLU . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.468 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.414 ' HE1' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.499 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.41 ' CG2' ' HA ' ' A' ' 63' ' ' SER . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.408 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -78.81 -51.44 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 1.6 pt20 -102.16 77.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.94 -175.98 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.14 35.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -153.82 -72.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.47 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.76 104.48 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.16 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.99 138.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.4 152.76 45.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -167.91 139.7 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t 63.31 144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.62 140.15 3.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t -84.25 85.16 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 73.21 -164.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 80.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.85 3.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -98.46 97.95 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.12 17.53 12.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -99.93 89.11 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 150.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -95.97 154.44 38.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.25 18.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.47 44.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.8 104.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 40.68 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p -46.12 154.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 44' ' ' ILE . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 67' ' ' PHE . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 27' ' ' LEU . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.573 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 72' ' ' THR . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 65' ' ' CYS . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -14.11 56.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 63' ' ' SER . 15.2 t0 -179.9 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 62' ' ' ASP . 1.8 t 162.13 79.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.66 43.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 23.0 m 42.9 57.38 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.04 69.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.517 ' CD1' HD22 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.51 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.572 HG21 ' CE2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 124' ' ' PHE . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 91' ' ' VAL . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.423 ' N ' HG23 ' A' ' 90' ' ' THR . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.432 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.501 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.463 ' HE2' ' CG2' ' A' ' 99' ' ' ILE . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.494 ' CE2' HD12 ' A' ' 80' ' ' LEU . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 97' ' ' GLU . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -54.16 -54.11 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -40.44 -71.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.2 p -66.36 134.29 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 32.81 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.08 172.91 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 t 64.83 152.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.29 -132.13 7.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.4 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 144.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -56.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.45 145.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.89 -59.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.53 -117.31 7.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 43.24 80.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 151.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.942 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 141.74 12.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 60.05 154.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.39 136.65 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.83 168.51 25.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -155.86 142.79 18.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.92 153.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.7 3.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 120.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.07 169.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -151.01 124.37 8.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t 60.64 148.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' HIS . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 28.9 t-80 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' A' ' 25' ' ' ASN . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.3 m170 -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 67' ' ' PHE . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 51' ' ' SER . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.451 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.648 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 20' ' ' LYS . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -82.51 -34.48 27.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -133.48 -59.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 55.1 p 176.78 121.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 23.0 t 38.95 42.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.23 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -147.08 136.18 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CG ' ' HG ' ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.427 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 HD23 ' CD2' ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.648 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' CD2' HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 127' ' ' GLN . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.488 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.407 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.558 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 130' ' ' LEU . 6.6 p-80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -50.97 -51.92 47.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.99 -51.36 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.58 169.11 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -121.54 126.23 48.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 49.0 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -51.22 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.21 146.06 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' SER . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.97 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' PRO . 17.0 t 64.96 82.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.92 135.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -42.65 -57.61 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.87 55.89 0.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -158.61 73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.7 147.03 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.83 146.74 1.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 81.84 2.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.02 150.71 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.44 16.48 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -80.39 140.82 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 132.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.56 152.54 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.356 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -152.73 126.68 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.19 101.15 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.17 32.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.01 128.83 3.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' OD1' ' CD2' ' A' ' 55' ' ' HIS . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ALA . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' N ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' LEU . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' N ' HD11 ' A' ' 44' ' ' ILE . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CG2' ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' A' ' 72' ' ' THR . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.56 ' CD1' ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 65' ' ' CYS . 3.7 tpt180 -54.47 -46.05 73.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -50.73 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 114.29 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 42.22 39.88 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 61' ' ' ARG . 1.3 m -101.38 65.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 65' ' ' CYS . 1.5 mp0 52.06 173.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 92' ' ' THR . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.42 ' N ' HG11 ' A' ' 91' ' ' VAL . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.441 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 127' ' ' GLN . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 129' ' ' HIS . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -48.72 -62.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -52.65 160.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.48 160.48 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.9 tptm 66.97 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 76.07 145.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -162.99 -54.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 127.3 164.43 11.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.7 m -130.62 143.11 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.8 p -147.93 143.52 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 p -145.11 -59.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 110.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -120.06 -58.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.62 -171.73 16.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -137.52 -53.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 61.83 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.62 153.79 23.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.2 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 1.3 mpt_? -104.04 -168.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -140.82 139.02 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -116.03 139.7 50.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -174.67 137.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.81 153.62 0.16 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.27 18.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.89 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.21 113.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -135.82 18.51 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.511 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -140.48 -158.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HD13 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 44' ' ' ILE . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.2 m170 -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.584 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.511 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.554 ' CE1' ' CE ' ' A' ' 119' ' ' MET . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE2' ' HD3' ' A' ' 20' ' ' LYS . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.17 -30.63 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.89 -49.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.4 m -174.99 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.0 p -85.64 61.39 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.7 t -119.01 -134.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 108.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 -136.61 145.3 44.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 67' ' ' PHE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.584 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' CD2' HD22 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.502 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.433 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' CD1' HD21 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.531 ' CD2' HD12 ' A' ' 130' ' ' LEU . 17.8 p-80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 133' ' ' SER . 69.1 m95 -49.13 -67.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -47.85 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -41.83 119.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -159.56 -63.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.98 165.9 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.16 138.09 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.66 157.33 11.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 174.43 12.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.26 -57.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.55 167.25 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p 49.8 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -102.24 173.53 6.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -168.37 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -159.25 170.41 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.7 150.34 23.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.63 112.29 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -133.77 177.08 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -153.09 138.12 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.69 111.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.99 140.89 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -43.81 152.85 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.23 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.29 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 110.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.21 43.39 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -39.24 148.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.565 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.2 t-80 -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' A' ' 44' ' ' ILE . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD13 ' CE2' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG22 ' CD1' ' A' ' 27' ' ' LEU . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CG2' ' A' ' 72' ' ' THR . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.533 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 58' ' ' ILE . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -74.03 -55.97 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.62 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -133.67 -45.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -38.81 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 41.97 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -110.33 118.56 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' CE2' HD13 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.602 ' CG2' ' CE1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' THR . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.477 HG22 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD23 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.419 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.605 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.599 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.5 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.459 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.515 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' HD12 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -50.2 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.49 67.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 156.07 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.55 -48.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 120.02 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.6 p -151.44 115.24 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.61 78.07 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.69 -66.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.2 m -89.84 124.57 34.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.56 119.85 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -162.53 162.21 27.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.96 -179.52 40.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -148.63 171.01 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 p -71.46 169.93 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 105.01 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.27 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -142.49 142.97 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -143.17 136.81 28.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -146.82 176.06 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -165.47 139.46 4.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.18 152.76 47.7 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 72.06 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.79 103.34 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -141.88 45.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t 63.76 148.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' HIS . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.457 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 44' ' ' ILE . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m170 -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.0 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CD2' HG22 ' A' ' 72' ' ' THR . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.566 HG23 ' CE1' ' A' ' 60' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 58' ' ' ILE . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -106.41 29.83 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' OD1' ' CD1' ' A' ' 131' ' ' TRP . 1.6 m-20 70.82 112.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.56 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -176.0 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.13 37.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.95 98.97 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.58 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.459 HG22 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 124' ' ' PHE . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.551 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.448 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HG3' ' CB ' ' A' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 124' ' ' PHE . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.407 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.492 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.522 ' CD1' ' OD1' ' A' ' 62' ' ' ASP . 92.7 m95 -55.26 -49.59 71.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 2.5 pt20 -102.01 73.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt 177.34 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -161.82 103.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.6 t -122.16 141.33 51.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.06 143.18 11.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m 63.79 106.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -175.29 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.54 170.71 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.41 -60.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.72 -143.11 15.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m 60.62 152.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -158.22 -56.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.34 -143.97 15.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 50.3 mmt-85 -113.65 -172.64 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER 86.44 124.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 157.6 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -154.15 130.66 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.95 154.33 60.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 69.96 87.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.945 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 105.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -143.63 39.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p -65.03 146.6 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.433 ' N ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' HB2' ' N ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.6 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 48' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' CE1' ' CD2' ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -33.18 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.48 -64.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.9 t -163.34 118.41 1.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 41.48 38.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.3 -93.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -141.5 141.61 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CZ ' ' C ' ' A' ' 69' ' ' ALA . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 57' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.532 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG21 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.487 HG21 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.446 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CE2' ' HG3' ' A' ' 111' ' ' GLN . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HD3' ' CB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.405 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.497 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.406 ' CG ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -47.49 -59.99 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -52.83 161.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -81.18 128.19 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.65 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 151.94 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 m -95.22 -52.32 4.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 98.71 84.06 1.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 139' ' ' SER . 18.3 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER 80.11 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.18 113.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.77 108.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -170.38 148.49 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.58 169.4 21.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 162.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -176.95 167.9 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.73 110.52 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.66 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -134.04 137.45 44.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.69 125.56 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.92 71.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -147.06 144.06 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.54 153.41 0.59 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 171.21 18.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.82 100.66 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.1 -179.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.77 140.48 27.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.594 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD13 ' CD ' ' A' ' 41' ' ' LYS . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 HG12 ' CD2' ' A' ' 70' ' ' LEU . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.452 ' HB3' ' CD1' ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.558 ' CD2' HD12 ' A' ' 57' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' CE1' HG22 ' A' ' 58' ' ' ILE . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.4 41.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.2 m-20 62.24 108.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 40.15 90.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.4 32.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.67 92.26 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' CD2' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 HD22 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.41 ' O ' HG11 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.433 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 116' ' ' THR . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.594 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.463 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 1.7 mt-30 -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 126' ' ' ILE . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -51.9 -58.72 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -55.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.77 137.79 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -65.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.8 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 t -164.88 89.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 163.88 112.53 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.82 11.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.39 133.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.1 t -120.13 112.9 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.87 170.36 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 170.55 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -154.05 25.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m 67.08 152.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 168.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 94.48 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.74 4.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -135.07 -179.07 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 142.3 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.96 166.56 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -171.76 140.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.14 153.37 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -177.9 116.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.51 108.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -143.93 33.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m -53.49 126.72 22.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' HIS . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 25' ' ' ASN . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.4 m-70 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CG ' HD11 ' A' ' 45' ' ' LEU . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.529 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.56 ' CE1' HD21 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -98.69 41.48 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 81.48 -53.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -160.22 122.03 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.4 OUTLIER 161.6 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.05 54.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -136.82 114.07 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LEU . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.467 HG22 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 116' ' ' THR . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 111' ' ' GLN . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' N ' HG23 ' A' ' 110' ' ' THR . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.497 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.537 ' CD2' HD12 ' A' ' 130' ' ' LEU . 22.0 p-80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.537 HD12 ' CD2' ' A' ' 129' ' ' HIS . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -53.42 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.12 110.53 22.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.21 160.66 38.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 -45.59 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.86 174.42 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.4 t -175.46 144.6 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.0 157.61 23.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.81 13.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.16 26.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.1 t 75.41 154.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p 178.38 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 168.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 176.54 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.24 136.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.26 171.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.01 102.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 62.57 119.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.5 mt -140.37 130.23 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.85 105.69 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.27 131.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.22 152.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.25 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.98 165.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -175.22 112.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t 61.43 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE2' ' CG2' ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.467 ' CE1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' N ' HD11 ' A' ' 44' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD22 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD1' HG21 ' A' ' 72' ' ' THR . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 55' ' ' HIS . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -20.72 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -164.98 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -166.57 113.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 0.9 OUTLIER 38.84 54.47 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.9 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -144.09 135.14 25.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' CG ' HG22 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' N ' HG11 ' A' ' 91' ' ' VAL . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.466 ' CE ' HD23 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 100' ' ' TYR . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.602 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.428 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.435 ' CD1' HD22 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 129' ' ' HIS . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -63.78 -64.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -120.79 130.03 53.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -165.96 175.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -139.87 100.82 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 140.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.3 147.64 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.09 83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.3 p -161.2 157.73 26.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 133.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -75.99 108.53 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -151.77 115.47 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.64 106.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -141.19 96.62 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.75 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.63 152.5 19.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 124.74 8.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 72.48 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tt -46.2 129.45 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.74 171.26 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 64.07 149.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -141.31 154.14 66.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.48 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.56 78.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 17' ' ' LYS . . . 56.44 -162.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 3.3 tttp 68.77 60.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m -94.0 135.32 35.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 15.8 t-80 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' CYS . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 27' ' ' LEU . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.612 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CE1' HD22 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CZ ' ' CG2' ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 63' ' ' SER . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -28.57 27.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.51 -58.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 60' ' ' PHE . 13.5 p -167.43 -91.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -94.91 50.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -97.32 -95.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -140.5 172.9 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD2' HG21 ' A' ' 58' ' ' ILE . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.517 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.467 HG21 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.424 HD13 ' CE2' ' A' ' 124' ' ' PHE . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.517 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.45 ' N ' ' CG2' ' A' ' 90' ' ' THR . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.591 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.48 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.496 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.468 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.407 ' HE2' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.428 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.411 ' CH2' HD23 ' A' ' 59' ' ' LEU . 75.5 m95 -48.2 -65.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.89 112.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.3 m 65.69 160.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -66.91 164.28 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -56.16 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.67 95.61 1.01 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.8 24.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 151.86 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -178.82 161.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.46 79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.37 83.67 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 98.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.34 81.62 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.88 -91.62 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -130.5 -174.64 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -144.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.41 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 141.44 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.89 153.3 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t 50.74 55.86 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.12 -146.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 5.3 p 165.36 139.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' N ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 67' ' ' PHE . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' HB3' ' N ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 48' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' A' ' 72' ' ' THR . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD21 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.502 HG21 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD22 ' CE1' ' A' ' 71' ' ' TYR . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -102.1 66.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 63.35 -83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -137.19 103.17 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 26.5 p -172.26 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 64' ' ' SER . 6.1 t 83.03 49.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.42 101.78 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' CE2' HD13 ' A' ' 32' ' ' LEU . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' CD1' ' CD2' ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.487 ' CG ' HG22 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 100' ' ' TYR . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 27.6 m120 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.407 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.476 ' HB ' ' CD2' ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.417 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' HD11 ' A' ' 130' ' ' LEU . 36.7 p-80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.578 HD11 ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -49.95 -49.09 51.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.55 -56.28 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 115.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -177.15 121.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 90.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.5 p -136.31 126.44 26.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.19 156.37 26.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.98 28.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.2 t -130.92 -58.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 p -59.66 162.32 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.89 161.35 36.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.74 -57.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.29 178.6 28.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.586 1.179 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.56 170.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.4 144.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 107.21 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.15 40.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 5.3 mtt-85 -123.35 -172.28 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 87.65 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.75 158.2 43.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -175.19 132.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -146.04 153.48 49.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 t 56.55 55.35 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.59 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -174.93 101.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p -67.32 139.36 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 7.7 t-80 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' CB ' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HG21 ' A' ' 44' ' ' ILE . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' SG ' ' A' ' 31' ' ' CYS . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.496 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 27' ' ' LEU . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' CG1' ' CD2' ' A' ' 70' ' ' LEU . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CE1' HD22 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 124' ' ' PHE . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.579 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 58' ' ' ILE . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.41 -34.63 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -179.34 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 127.57 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -72.51 57.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.62 -51.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -93.54 135.24 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CB ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' CD2' ' CG1' ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.494 HG23 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD23 ' CA ' ' A' ' 73' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.434 ' CD2' HD22 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' O ' HG13 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.446 ' CE ' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.618 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CG2' ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.462 ' CG ' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.457 ' CD1' HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -50.43 -65.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -40.39 160.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 m -101.39 132.05 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -162.42 -64.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.42 175.75 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.1 p -137.2 151.3 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.62 93.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.35 31.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.555 1.818 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.5 m 61.83 135.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 22' ' ' ILE . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD12 HD11 ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.528 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 HD12 ' A' ' 32' ' ' LEU . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' HH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 44' ' ' ILE . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG13 HD13 ' A' ' 32' ' ' LEU . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' ND1' ' A' ' 24' ' ' HIS . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.73 HG12 HD21 ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' ND1' HD23 ' A' ' 73' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.104 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.714 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 125' ' ' THR . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.714 ' CD2' HG23 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 83' ' ' LEU . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' ND1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 73' ' ' LEU . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.104 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 70' ' ' LEU . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 91' ' ' VAL . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.686 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.781 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.724 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CD1' HG23 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.644 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.781 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 99' ' ' ILE . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.406 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.484 HG22 HG13 ' A' ' 112' ' ' ILE . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 60' ' ' PHE . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 1.011 HD12 HD23 ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.576 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 21.9 p80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 1.011 HD23 HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HD2' HG22 ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 32' ' ' LEU . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 ' CD1' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.5 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' CE2' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.06 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.026 ' CE2' HG23 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 80' ' ' LEU . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 67' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 71' ' ' TYR . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.625 ' HB2' HG22 ' A' ' 125' ' ' THR . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.905 ' CD1' HD21 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HD23 ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.06 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.698 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.538 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.046 HD23 HD12 ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG11 ' HE2' ' A' ' 124' ' ' PHE . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 99' ' ' ILE . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.861 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.685 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.829 HG13 HG22 ' A' ' 121' ' ' VAL . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.669 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.861 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.492 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.829 HG22 HG13 ' A' ' 112' ' ' ILE . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.658 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 60' ' ' PHE . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.886 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 58' ' ' ILE . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.543 ' NE2' HD22 ' A' ' 45' ' ' LEU . 1.2 t60 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD22 HD12 ' A' ' 32' ' ' LEU . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' NE2' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.886 HG22 ' HE2' ' A' ' 20' ' ' LYS . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.121 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD21 ' CH2' ' A' ' 131' ' ' TRP . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' NE ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 83' ' ' LEU . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.121 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' HE2' ' A' ' 124' ' ' PHE . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.61 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.833 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.525 ' SD ' HD22 ' A' ' 73' ' ' LEU . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.498 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 112' ' ' ILE . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.602 ' HE2' HG11 ' A' ' 91' ' ' VAL . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 ' SD ' ' A' ' 95' ' ' MET . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.448 ' CH2' HD21 ' A' ' 59' ' ' LEU . 93.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' CB ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 32' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.442 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 45' ' ' LEU . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 32' ' ' LEU . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.642 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.791 ' CE1' HD23 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.842 HD13 HD21 ' A' ' 80' ' ' LEU . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' CD2' ' A' ' 67' ' ' PHE . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.748 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 84' ' ' ALA . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 83' ' ' LEU . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.791 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.62 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.842 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 124' ' ' PHE . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.725 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.817 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.539 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CD1' HG23 ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.839 HG13 HG22 ' A' ' 121' ' ' VAL . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.663 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.839 HG22 HG13 ' A' ' 112' ' ' ILE . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.748 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 60' ' ' PHE . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.555 ' HB ' HD23 ' A' ' 130' ' ' LEU . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.571 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.725 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.515 ' CB ' HD12 ' A' ' 22' ' ' ILE . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.912 ' HE2' HG22 ' A' ' 48' ' ' ILE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 58' ' ' ILE . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.956 HD11 ' CE1' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.1 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 45' ' ' LEU . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.912 HG22 ' HE2' ' A' ' 20' ' ' LYS . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.93 ' CE1' HD23 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 80' ' ' LEU . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.542 HG23 ' CD2' ' A' ' 67' ' ' PHE . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.702 ' HB2' HG22 ' A' ' 125' ' ' THR . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.956 ' CE1' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.93 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.564 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.671 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB3' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.523 HG11 ' HE2' ' A' ' 124' ' ' PHE . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.876 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.743 ' SD ' HD21 ' A' ' 130' ' ' LEU . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.825 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.569 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.658 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.825 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.508 ' SD ' HD22 ' A' ' 73' ' ' LEU . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 112' ' ' ILE . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.702 HG22 ' HB2' ' A' ' 60' ' ' PHE . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' MET . 81.2 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.667 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 4.9 p80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.743 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.709 ' HE2' HG22 ' A' ' 48' ' ' ILE . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 HD11 ' A' ' 58' ' ' ILE . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 HD12 ' A' ' 32' ' ' LEU . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.696 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 27' ' ' LEU . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 27' ' ' LEU . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 ' HE2' ' A' ' 20' ' ' LYS . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.537 ' ND1' HD23 ' A' ' 73' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.039 HD13 HD21 ' A' ' 80' ' ' LEU . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' CH2' ' A' ' 131' ' ' TRP . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CD1' HD21 ' A' ' 32' ' ' LEU . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 83' ' ' LEU . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' ND1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.039 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.86 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.78 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 121' ' ' VAL . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.86 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.495 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 112' ' ' ILE . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CH2' HD21 ' A' ' 59' ' ' LEU . 73.0 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 ' CE2' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.702 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.557 HD11 HG22 ' A' ' 44' ' ' ILE . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.052 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 HD12 ' A' ' 23' ' ' ILE . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 83' ' ' LEU . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.052 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.647 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.576 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.576 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.437 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.58 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.71 HG11 ' HE2' ' A' ' 124' ' ' PHE . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 93' ' ' PRO . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.762 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.611 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.657 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.717 ' O ' HD13 ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.461 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.442 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.45 HG22 HG13 ' A' ' 112' ' ' ILE . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.71 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.451 ' CB ' HD12 ' A' ' 22' ' ' ILE . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 19' ' ' ASN . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 32' ' ' LEU . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.821 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 27' ' ' LEU . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.821 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.561 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE1' ' A' ' 56' ' ' PHE . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.027 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 67' ' ' PHE . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.872 ' HB2' HG22 ' A' ' 125' ' ' THR . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CD1' HD21 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.064 HD12 HD23 ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' CD2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.027 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 73' ' ' LEU . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.58 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' LEU . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD12 ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' LEU . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 124' ' ' PHE . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 96' ' ' VAL . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' THR . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 121' ' ' VAL . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.76 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.663 ' O ' HD13 ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 112' ' ' ILE . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.661 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.872 HG22 ' HB2' ' A' ' 60' ' ' PHE . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 95' ' ' MET . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.587 ' CB ' HD12 ' A' ' 22' ' ' ILE . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.56 HG21 HD11 ' A' ' 70' ' ' LEU . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 2.8 t60 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.4 OUTLIER -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 27' ' ' LEU . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 84' ' ' ALA . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.619 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.158 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 HD22 ' A' ' 83' ' ' LEU . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.158 HD23 ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 47' ' ' GLU . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.728 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.653 ' SD ' HD21 ' A' ' 130' ' ' LEU . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.779 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 101' ' ' LYS . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.779 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.692 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.501 ' N ' HG22 ' A' ' 116' ' ' THR . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.441 ' OG ' HG23 ' A' ' 121' ' ' VAL . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' OG ' ' A' ' 118' ' ' SER . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 ' HB2' ' A' ' 60' ' ' PHE . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.734 HD12 HD23 ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 15.0 p80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.816 ' HD2' HG22 ' A' ' 48' ' ' ILE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 HD12 ' A' ' 45' ' ' LEU . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.617 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.816 HG22 ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' ILE . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 23' ' ' ILE . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.935 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 125' ' ' THR . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 74' ' ' SER . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.653 ' N ' HD12 ' A' ' 73' ' ' LEU . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.83 ' CD2' HD13 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 124' ' ' PHE . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.435 ' HE3' HD13 ' A' ' 130' ' ' LEU . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.785 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.649 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.833 HG13 HG22 ' A' ' 121' ' ' VAL . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.785 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.517 ' O ' HD13 ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.833 HG22 HG13 ' A' ' 112' ' ' ILE . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.935 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 60' ' ' PHE . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.743 ' HB ' HD12 ' A' ' 130' ' ' LEU . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 130' ' ' LEU . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 126' ' ' ILE . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.602 ' CB ' HD12 ' A' ' 22' ' ' ILE . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 19' ' ' ASN . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 58' ' ' ILE . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.81 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' CD2' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' ' HB2' ' A' ' 84' ' ' ALA . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.819 HG12 HD21 ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.423 ' OG ' HG21 ' A' ' 72' ' ' THR . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CD1' HG22 ' A' ' 72' ' ' THR . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 80' ' ' LEU . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 23' ' ' ILE . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.717 ' HB2' HG22 ' A' ' 125' ' ' THR . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.819 HD21 HG12 ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.777 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.762 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.476 ' O ' HD13 ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' HD21 ' A' ' 57' ' ' LEU . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.885 HD12 HD23 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.576 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 34.4 p80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.885 HD23 HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 69.1 m95 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' A' ' 22' ' ' ILE . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.858 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 23' ' ' ILE . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.4 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 48' ' ' ILE . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB2' HD11 ' A' ' 83' ' ' LEU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.915 ' CE1' HD23 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 80' ' ' LEU . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 67' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.622 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.081 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 70' ' ' LEU . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.728 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.915 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 73' ' ' LEU . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.081 HD23 HD12 ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.772 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.664 ' CD1' HG23 ' A' ' 22' ' ' ILE . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.655 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.847 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.527 ' O ' HD13 ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.421 ' HE3' ' CG2' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.487 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.612 ' CG1' HD21 ' A' ' 57' ' ' LEU . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 60' ' ' PHE . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 60' ' ' PHE . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.648 HD12 HD23 ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.641 HG23 ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.488 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 32' ' ' LEU . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.775 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.5 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 83' ' ' LEU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD23 ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 70' ' ' LEU . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 HG12 ' A' ' 126' ' ' ILE . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.896 ' HB2' HG22 ' A' ' 125' ' ' THR . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.987 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 70' ' ' LEU . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.178 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.572 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.564 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.564 HG23 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.987 HD23 HD12 ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.722 HG11 ' HE2' ' A' ' 124' ' ' PHE . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.781 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CD1' HG23 ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.508 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.653 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.784 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 112' ' ' ILE . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.722 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.896 HG22 ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.466 HG12 HD11 ' A' ' 59' ' ' LEU . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 92.7 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.839 HD22 HD12 ' A' ' 32' ' ' LEU . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD12 HD22 ' A' ' 27' ' ' LEU . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.5 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.029 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.477 ' HB2' HD11 ' A' ' 83' ' ' LEU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.174 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.029 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 80' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.734 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.61 ' N ' HD13 ' A' ' 70' ' ' LEU . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.749 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.174 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD12 ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.753 ' SD ' HD21 ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.776 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' CD ' ' HB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.616 ' CD1' HG23 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.418 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.518 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.776 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.723 ' O ' HD13 ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.481 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 57' ' ' LEU . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 58' ' ' ILE . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.755 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 60' ' ' PHE . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.753 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 22' ' ' ILE . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.831 ' HE2' HG22 ' A' ' 48' ' ' ILE . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.68 ' HA ' HD12 ' A' ' 45' ' ' LEU . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 42' ' ' ASN . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.831 HG22 ' HE2' ' A' ' 20' ' ' LYS . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.876 ' ND1' HD23 ' A' ' 73' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 80' ' ' LEU . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.664 ' HD2' HG23 ' A' ' 58' ' ' ILE . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.588 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.876 HD23 ' ND1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.685 ' N ' HD12 ' A' ' 73' ' ' LEU . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 73' ' ' LEU . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.892 ' HB3' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.599 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.586 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.567 ' O ' HD13 ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 99' ' ' ILE . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.812 ' HE2' HG22 ' A' ' 48' ' ' ILE . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 58' ' ' ILE . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 32' ' ' LEU . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m80 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.812 HG22 ' HE2' ' A' ' 20' ' ' LYS . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.769 ' ND1' HD23 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 80' ' ' LEU . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD12 ' A' ' 23' ' ' ILE . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.657 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.693 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.796 HD21 HG12 ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.598 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.769 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.507 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.598 HD22 HG23 ' A' ' 72' ' ' THR . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.754 ' HB3' HD21 ' A' ' 130' ' ' LEU . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' LYS . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.555 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.657 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.868 HD12 HD23 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 130' ' ' LEU . 35.3 p80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 126' ' ' ILE . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.576 ' CB ' HD12 ' A' ' 22' ' ' ILE . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.926 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 19' ' ' ASN . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.494 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.407 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.606 HG22 HD11 ' A' ' 48' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.926 HG22 ' HE2' ' A' ' 20' ' ' LYS . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.035 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.851 HD13 HD21 ' A' ' 80' ' ' LEU . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.035 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.586 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.587 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.587 HG23 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.851 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 124' ' ' PHE . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.698 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' OH ' ' NE2' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.926 HG13 HG22 ' A' ' 121' ' ' VAL . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.56 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 99' ' ' ILE . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.926 HG22 HG13 ' A' ' 112' ' ' ILE . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.552 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.779 HD12 HD23 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 126' ' ' ILE . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 48' ' ' ILE . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 58' ' ' ILE . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' HD23 ' A' ' 32' ' ' LEU . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.73 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.105 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 1.016 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 1.105 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.671 ' CE1' HD11 ' A' ' 32' ' ' LEU . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.668 ' N ' HD13 ' A' ' 70' ' ' LEU . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.701 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 124' ' ' PHE . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 93' ' ' PRO . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.845 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.648 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.845 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.487 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 57' ' ' LEU . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.682 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 5.3 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 32' ' ' LEU . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 27' ' ' LEU . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.4 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 45' ' ' LEU . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 42' ' ' ASN . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 83' ' ' LEU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.914 ' ND1' HD23 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.742 ' CD1' HG22 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 80' ' ' LEU . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.683 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.705 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.65 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.914 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.543 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 57' ' ' LEU . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.044 HD23 HD12 ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.744 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.96 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 76.9 m-20 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' C ' ' HG1' ' A' ' 110' ' ' THR . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.45 ' HG1' ' C ' ' A' ' 109' ' ' PHE . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 121' ' ' VAL . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.744 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.614 ' O ' HD13 ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 73' ' ' LEU . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 112' ' ' ILE . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 60' ' ' PHE . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 130' ' ' LEU . 31.8 p80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 58' ' ' ILE . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 45' ' ' LEU . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.481 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 27' ' ' LEU . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' CE2' ' A' ' 56' ' ' PHE . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.803 ' CE2' HG23 ' A' ' 48' ' ' ILE . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 80' ' ' LEU . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 67' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' CE1' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.752 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 58' ' ' ILE . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.71 ' CE1' HD22 ' A' ' 59' ' ' LEU . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 74' ' ' SER . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.735 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.643 HD23 HD23 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.606 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG13 HG22 ' A' ' 121' ' ' VAL . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.64 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.467 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 HG13 ' A' ' 112' ' ' ILE . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.752 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.944 HD23 HD12 ' A' ' 126' ' ' ILE . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -143.37 96.36 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 167.58 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.03 119.39 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.69 166.39 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.79 171.45 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.22 -113.11 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -129.4 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.41 -147.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.09 91.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -129.43 132.93 47.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -40.38 152.34 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.98 19.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 p -137.43 107.79 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 99.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -131.42 33.49 4.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -40.36 142.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 22' ' ' ILE . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD12 HD11 ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.528 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 HD12 ' A' ' 32' ' ' LEU . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' HH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 44' ' ' ILE . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG13 HD13 ' A' ' 32' ' ' LEU . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' ND1' ' A' ' 24' ' ' HIS . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.73 HG12 HD21 ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' ND1' HD23 ' A' ' 73' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.104 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.714 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 125' ' ' THR . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CB ' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -77.93 -41.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 169.85 106.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 68.53 84.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' SER . 11.4 p 36.7 46.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 61' ' ' ARG . 1.2 t -91.58 72.16 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . 5.7 mt-30 48.83 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.228 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.714 ' CD2' HG23 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 83' ' ' LEU . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' ND1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 73' ' ' LEU . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.104 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 70' ' ' LEU . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 91' ' ' VAL . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.686 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.781 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.724 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CD1' HG23 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.644 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.781 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 99' ' ' ILE . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.406 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.484 HG22 HG13 ' A' ' 112' ' ' ILE . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 60' ' ' PHE . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 1.011 HD12 HD23 ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.576 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 21.9 p80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 1.011 HD23 HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -53.55 -63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -52.35 162.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 142.92 33.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -170.44 -64.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -173.63 173.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.0 m -165.06 144.35 6.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.74 8.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.48 6.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.6 p -164.7 122.9 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.055 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.1 m -159.6 -53.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.73 109.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.55 163.21 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.88 -153.8 7.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m 61.96 132.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 160.58 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 -146.53 18.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 107.17 2.42 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -39.37 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.21 134.1 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.75 98.24 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 138.37 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.4 153.59 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -177.63 3.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 77.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 91.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -161.88 38.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' LYS . 72.9 m -39.22 142.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HD2' HG22 ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 32' ' ' LEU . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 ' CD1' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.5 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' CE2' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.06 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.026 ' CE2' HG23 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 80' ' ' LEU . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 67' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 71' ' ' TYR . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.625 ' HB2' HG22 ' A' ' 125' ' ' THR . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -95.98 -30.64 13.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.516 ' O ' HG21 ' A' ' 125' ' ' THR . 3.1 m-20 -137.62 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 125' ' ' THR . 68.6 p -177.5 116.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 31.0 t 39.05 49.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.2 t -109.88 -73.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -143.83 140.32 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.905 ' CD1' HD21 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HD23 ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.06 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.698 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.538 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.046 HD23 HD12 ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG11 ' HE2' ' A' ' 124' ' ' PHE . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 99' ' ' ILE . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.861 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.685 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.829 HG13 HG22 ' A' ' 121' ' ' VAL . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.669 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.861 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.492 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.829 HG22 HG13 ' A' ' 112' ' ' ILE . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.658 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 60' ' ' PHE . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -63.74 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.78 105.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.3 m 69.86 140.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -90.58 147.5 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.27 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.1 t -80.75 -52.93 6.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -126.19 169.82 18.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 p -166.44 146.75 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.67 160.39 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.16 170.5 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.0 167.49 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.88 45.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -74.05 167.82 20.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.0 108.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.08 -170.97 36.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.65 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -73.87 105.16 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.0 mt -82.44 131.75 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.49 -175.27 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttm 62.62 138.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.39 153.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.31 100.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.07 162.06 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -176.44 105.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -83.12 146.93 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.886 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 58' ' ' ILE . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.543 ' NE2' HD22 ' A' ' 45' ' ' LEU . 1.2 t60 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD22 HD12 ' A' ' 32' ' ' LEU . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' NE2' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.886 HG22 ' HE2' ' A' ' 20' ' ' LYS . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.121 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD21 ' CH2' ' A' ' 131' ' ' TRP . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' O ' ' A' ' 65' ' ' CYS . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' NE ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.52 48.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.5 113.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m 40.05 35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -105.18 -42.1 5.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER 83.07 -54.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.23 114.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 83' ' ' LEU . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.121 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' HE2' ' A' ' 124' ' ' PHE . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.61 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.833 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.525 ' SD ' HD22 ' A' ' 73' ' ' LEU . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.498 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 112' ' ' ILE . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.602 ' HE2' HG11 ' A' ' 91' ' ' VAL . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.471 ' CE1' ' HG ' ' A' ' 130' ' ' LEU . 0.4 OUTLIER -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.492 HD11 ' SD ' ' A' ' 95' ' ' MET . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.448 ' CH2' HD21 ' A' ' 59' ' ' LEU . 93.6 m95 -65.94 -63.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -55.54 102.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.53 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 -176.88 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.61 126.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 65.4 p -160.55 151.04 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -37.88 104.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.18 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -63.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.92 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 67.38 166.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 170.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.31 -157.87 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.42 145.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.37 158.14 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -166.97 38.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.17 3.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -111.18 99.11 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 10' ' ' LEU . 3.7 mm? -80.29 132.9 35.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.9 140.73 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.46 152.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 154.0 44.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.72 4.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 m -75.73 100.48 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' SER . . . 66.85 142.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.76 133.57 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.77 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.947 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' CB ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 32' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.442 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 45' ' ' LEU . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 32' ' ' LEU . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.642 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.791 ' CE1' HD23 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.842 HD13 HD21 ' A' ' 80' ' ' LEU . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' CD2' ' A' ' 67' ' ' PHE . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.748 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -41.04 -41.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -164.84 -63.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -179.2 73.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.73 31.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.0 m 44.76 71.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -138.43 77.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 84' ' ' ALA . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 83' ' ' LEU . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.791 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.62 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.842 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 124' ' ' PHE . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.725 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.817 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.539 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CD1' HG23 ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.839 HG13 HG22 ' A' ' 121' ' ' VAL . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.663 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.839 HG22 HG13 ' A' ' 112' ' ' ILE . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.748 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 60' ' ' PHE . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.555 ' HB ' HD23 ' A' ' 130' ' ' LEU . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.571 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.725 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -50.07 -49.83 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -51.05 -55.77 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 6.44 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -115.76 128.04 55.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -134.36 -51.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 124.03 98.12 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.68 9.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -168.18 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -87.89 170.59 11.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -175.7 168.92 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 168.82 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.54 172.61 44.99 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -161.03 73.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -169.4 130.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.06 107.84 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 135.0 18.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.79 -162.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 86.44 129.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -37.8 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.41 155.18 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -92.75 154.66 42.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.93 115.62 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 177.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 143.35 43.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.57 120.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.031 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.515 ' CB ' HD12 ' A' ' 22' ' ' ILE . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.912 ' HE2' HG22 ' A' ' 48' ' ' ILE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 58' ' ' ILE . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.956 HD11 ' CE1' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.1 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 45' ' ' LEU . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.912 HG22 ' HE2' ' A' ' 20' ' ' LYS . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.93 ' CE1' HD23 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 80' ' ' LEU . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.542 HG23 ' CD2' ' A' ' 67' ' ' PHE . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.702 ' HB2' HG22 ' A' ' 125' ' ' THR . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -171.84 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.37 76.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -166.6 30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 44.04 66.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 108.242 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -135.78 78.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.956 ' CE1' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.93 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.564 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.671 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB3' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG11 ' HE2' ' A' ' 124' ' ' PHE . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.876 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.743 ' SD ' HD21 ' A' ' 130' ' ' LEU . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.825 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.569 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.658 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.825 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.508 ' SD ' HD22 ' A' ' 73' ' ' LEU . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 112' ' ' ILE . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.702 HG22 ' HB2' ' A' ' 60' ' ' PHE . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' MET . 81.2 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.667 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 4.9 p80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.743 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLN . 66.7 m95 -60.61 -44.34 96.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 133' ' ' SER . 0.1 OUTLIER -37.67 -67.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 132' ' ' GLN . 0.4 OUTLIER 165.6 -29.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -45.8 150.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.5 p -131.25 48.38 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.79 79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 m -165.36 90.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.1 t -108.0 -55.27 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.6 113.24 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.28 123.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.18 151.89 24.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -164.65 169.43 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 169.8 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.32 110.58 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 154.84 42.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -146.51 157.43 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -143.18 133.09 24.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.19 170.93 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 156.11 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.13 152.29 46.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.94 -172.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' PRO . 1.4 m 38.78 59.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.92 175.5 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -158.59 141.95 14.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p -121.37 133.42 55.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.709 ' HE2' HG22 ' A' ' 48' ' ' ILE . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 HD11 ' A' ' 58' ' ' ILE . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 HD12 ' A' ' 32' ' ' LEU . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.696 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 27' ' ' LEU . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 27' ' ' LEU . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 ' HE2' ' A' ' 20' ' ' LYS . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.537 ' ND1' HD23 ' A' ' 73' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.039 HD13 HD21 ' A' ' 80' ' ' LEU . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' CH2' ' A' ' 131' ' ' TRP . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -93.82 -43.58 8.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -121.66 -65.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 92.4 p -174.93 115.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 46.1 m 39.39 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.12 -76.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -127.55 157.86 39.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CD1' HD21 ' A' ' 32' ' ' LEU . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 83' ' ' LEU . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' ND1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.039 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.86 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.78 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 121' ' ' VAL . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.86 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.495 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 112' ' ' ILE . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CH2' HD21 ' A' ' 59' ' ' LEU . 73.0 m95 -51.25 -61.32 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -42.52 -53.75 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.74 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.063 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -173.08 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.01 122.27 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -96.11 166.99 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.0 96.64 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.16 6.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.3 t -173.6 176.16 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.89 156.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -101.1 158.59 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 163.91 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.32 109.69 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -171.3 171.19 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.4 m -46.55 167.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.82 98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.85 24.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 66.32 179.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.66 -167.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.77 159.53 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.96 151.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -80.68 153.73 73.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.43 -134.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.76 133.87 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 116.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -138.71 148.11 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 ' CE2' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.702 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.557 HD11 HG22 ' A' ' 44' ' ' ILE . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.052 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 HD12 ' A' ' 23' ' ' ILE . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -33.88 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -150.05 -53.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.87 ' HA ' HG21 ' A' ' 125' ' ' THR . 14.4 m -166.95 112.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 78.4 p 40.18 48.71 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -87.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -138.56 135.61 35.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 83' ' ' LEU . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.052 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.647 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.576 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.576 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.58 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.71 HG11 ' HE2' ' A' ' 124' ' ' PHE . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 93' ' ' PRO . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.762 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.611 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.657 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.717 ' O ' HD13 ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.461 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.442 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.45 HG22 HG13 ' A' ' 112' ' ' ILE . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.71 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.87 HG21 ' HA ' ' A' ' 63' ' ' SER . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -78.81 -51.44 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 1.6 pt20 -102.16 77.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.94 -175.98 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.14 35.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -153.82 -72.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.47 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.76 104.48 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.16 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.99 138.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.4 152.76 45.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -167.91 139.7 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t 63.31 144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.62 140.15 3.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t -84.25 85.16 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 73.21 -164.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 80.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.85 3.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -98.46 97.95 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.12 17.53 12.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -99.93 89.11 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 150.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -95.97 154.44 38.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.25 18.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.47 44.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.8 104.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 40.68 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p -46.12 154.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' CB ' HD12 ' A' ' 22' ' ' ILE . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 19' ' ' ASN . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 32' ' ' LEU . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.821 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 27' ' ' LEU . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.821 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.561 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE1' ' A' ' 56' ' ' PHE . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.027 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 67' ' ' PHE . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.872 ' HB2' HG22 ' A' ' 125' ' ' THR . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -14.11 56.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 63' ' ' SER . 15.2 t0 -179.9 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 62' ' ' ASP . 1.8 t 162.13 79.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.66 43.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 23.0 m 42.9 57.38 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.04 69.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CD1' HD21 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.064 HD12 HD23 ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' CD2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.027 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 73' ' ' LEU . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.58 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' LEU . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD12 ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' LEU . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 124' ' ' PHE . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 96' ' ' VAL . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' THR . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 121' ' ' VAL . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.76 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.663 ' O ' HD13 ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 112' ' ' ILE . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.661 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.872 HG22 ' HB2' ' A' ' 60' ' ' PHE . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 95' ' ' MET . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -54.16 -54.11 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -40.44 -71.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.2 p -66.36 134.29 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 32.81 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.08 172.91 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 t 64.83 152.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.29 -132.13 7.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.4 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 144.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -56.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.45 145.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.89 -59.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.53 -117.31 7.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 43.24 80.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 151.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.942 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 141.74 12.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 60.05 154.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.39 136.65 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.83 168.51 25.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -155.86 142.79 18.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.92 153.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.7 3.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 120.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.07 169.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -151.01 124.37 8.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t 60.64 148.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.587 ' CB ' HD12 ' A' ' 22' ' ' ILE . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.56 HG21 HD11 ' A' ' 70' ' ' LEU . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 2.8 t60 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.4 OUTLIER -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 27' ' ' LEU . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 84' ' ' ALA . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.619 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.158 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -82.51 -34.48 27.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' HG21 ' A' ' 125' ' ' THR . 5.2 t70 -133.48 -59.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 125' ' ' THR . 55.1 p 176.78 121.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 23.0 t 38.95 42.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.23 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -147.08 136.18 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 HD22 ' A' ' 83' ' ' LEU . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.158 HD23 ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 47' ' ' GLU . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.728 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.653 ' SD ' HD21 ' A' ' 130' ' ' LEU . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.779 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 101' ' ' LYS . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.779 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.692 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.501 ' N ' HG22 ' A' ' 116' ' ' THR . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.441 ' OG ' HG23 ' A' ' 121' ' ' VAL . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' OG ' ' A' ' 118' ' ' SER . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 62' ' ' ASP . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.734 HD12 HD23 ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 15.0 p80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -50.97 -51.92 47.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.99 -51.36 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.58 169.11 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -121.54 126.23 48.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 49.0 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -51.22 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.21 146.06 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' SER . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.97 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' PRO . 17.0 t 64.96 82.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.92 135.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -42.65 -57.61 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.87 55.89 0.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -158.61 73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.7 147.03 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.83 146.74 1.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 81.84 2.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.02 150.71 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.44 16.48 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -80.39 140.82 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 132.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.56 152.54 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.356 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -152.73 126.68 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.19 101.15 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.17 32.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.01 128.83 3.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.816 ' HD2' HG22 ' A' ' 48' ' ' ILE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 HD12 ' A' ' 45' ' ' LEU . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.617 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.816 HG22 ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' ILE . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 23' ' ' ILE . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.935 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 125' ' ' THR . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 65' ' ' CYS . 3.7 tpt180 -54.47 -46.05 73.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -50.73 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 114.29 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 42.22 39.88 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 61' ' ' ARG . 1.3 m -101.38 65.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 65' ' ' CYS . 1.5 mp0 52.06 173.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 74' ' ' SER . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.653 ' N ' HD12 ' A' ' 73' ' ' LEU . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.83 ' CD2' HD13 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 124' ' ' PHE . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.435 ' HE3' HD13 ' A' ' 130' ' ' LEU . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.785 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.649 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.833 HG13 HG22 ' A' ' 121' ' ' VAL . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.785 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.517 ' O ' HD13 ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.833 HG22 HG13 ' A' ' 112' ' ' ILE . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.935 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 60' ' ' PHE . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.743 ' HB ' HD12 ' A' ' 130' ' ' LEU . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 130' ' ' LEU . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 126' ' ' ILE . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -48.72 -62.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -52.65 160.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.48 160.48 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.9 tptm 66.97 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 76.07 145.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -162.99 -54.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 127.3 164.43 11.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.7 m -130.62 143.11 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.8 p -147.93 143.52 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 p -145.11 -59.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 110.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -120.06 -58.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.62 -171.73 16.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -137.52 -53.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 61.83 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.62 153.79 23.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.2 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 1.3 mpt_? -104.04 -168.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -140.82 139.02 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -116.03 139.7 50.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -174.67 137.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.81 153.62 0.16 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.27 18.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.89 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.21 113.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -135.82 18.51 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -140.48 -158.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.602 ' CB ' HD12 ' A' ' 22' ' ' ILE . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 19' ' ' ASN . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 58' ' ' ILE . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.81 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' CD2' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' ' HB2' ' A' ' 84' ' ' ALA . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.819 HG12 HD21 ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.423 ' OG ' HG21 ' A' ' 72' ' ' THR . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CD1' HG22 ' A' ' 72' ' ' THR . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 80' ' ' LEU . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 23' ' ' ILE . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.717 ' HB2' HG22 ' A' ' 125' ' ' THR . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.17 -30.63 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.89 -49.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.677 ' HA ' HG21 ' A' ' 125' ' ' THR . 13.4 m -174.99 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.0 p -85.64 61.39 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.7 t -119.01 -134.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 108.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 -136.61 145.3 44.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.819 HD21 HG12 ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.777 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.762 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.476 ' O ' HD13 ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' HD21 ' A' ' 57' ' ' LEU . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.885 HD12 HD23 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.576 ' CE1' ' CD1' ' A' ' 130' ' ' LEU . 34.4 p80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.885 HD23 HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 133' ' ' SER . 69.1 m95 -49.13 -67.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -47.85 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -41.83 119.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -159.56 -63.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.98 165.9 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.16 138.09 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.66 157.33 11.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 174.43 12.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.26 -57.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.55 167.25 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p 49.8 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -102.24 173.53 6.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -168.37 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -159.25 170.41 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.7 150.34 23.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.63 112.29 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -133.77 177.08 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -153.09 138.12 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.69 111.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.99 140.89 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -43.81 152.85 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.23 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.29 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 110.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.21 43.39 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -39.24 148.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' A' ' 22' ' ' ILE . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.858 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 23' ' ' ILE . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.4 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 48' ' ' ILE . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB2' HD11 ' A' ' 83' ' ' LEU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.915 ' CE1' HD23 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 80' ' ' LEU . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 67' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.622 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -74.03 -55.97 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.62 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -133.67 -45.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -38.81 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 41.97 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -110.33 118.56 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.081 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 70' ' ' LEU . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.728 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.915 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 73' ' ' LEU . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.081 HD23 HD12 ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.772 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.664 ' CD1' HG23 ' A' ' 22' ' ' ILE . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.655 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.847 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.527 ' O ' HD13 ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.421 ' HE3' ' CG2' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.487 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.612 ' CG1' HD21 ' A' ' 57' ' ' LEU . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 60' ' ' PHE . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 60' ' ' PHE . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.648 HD12 HD23 ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -50.2 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.49 67.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 156.07 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.55 -48.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 120.02 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.6 p -151.44 115.24 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.61 78.07 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.69 -66.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.2 m -89.84 124.57 34.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.56 119.85 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -162.53 162.21 27.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.96 -179.52 40.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -148.63 171.01 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 p -71.46 169.93 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 105.01 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.27 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -142.49 142.97 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -143.17 136.81 28.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -146.82 176.06 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -165.47 139.46 4.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.18 152.76 47.7 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 72.06 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.79 103.34 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -141.88 45.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t 63.76 148.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.641 HG23 ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.488 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 32' ' ' LEU . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.775 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.5 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 83' ' ' LEU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD23 ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 70' ' ' LEU . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 HG12 ' A' ' 126' ' ' ILE . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.896 ' HB2' HG22 ' A' ' 125' ' ' THR . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -106.41 29.83 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' OD1' ' CD1' ' A' ' 131' ' ' TRP . 1.6 m-20 70.82 112.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.56 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -176.0 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.13 37.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.95 98.97 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.987 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 70' ' ' LEU . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.178 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.572 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.564 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.564 HG23 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.987 HD23 HD12 ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.722 HG11 ' HE2' ' A' ' 124' ' ' PHE . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.781 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CD1' HG23 ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.508 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.653 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.784 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 112' ' ' ILE . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.722 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.896 HG22 ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.466 HG12 HD11 ' A' ' 59' ' ' LEU . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.522 ' CD1' ' OD1' ' A' ' 62' ' ' ASP . 92.7 m95 -55.26 -49.59 71.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 2.5 pt20 -102.01 73.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt 177.34 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -161.82 103.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.6 t -122.16 141.33 51.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.06 143.18 11.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m 63.79 106.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -175.29 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.54 170.71 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.41 -60.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.72 -143.11 15.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m 60.62 152.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -158.22 -56.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.34 -143.97 15.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 50.3 mmt-85 -113.65 -172.64 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER 86.44 124.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 157.6 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -154.15 130.66 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.95 154.33 60.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 69.96 87.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.945 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 105.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -143.63 39.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p -65.03 146.6 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.839 HD22 HD12 ' A' ' 32' ' ' LEU . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD12 HD22 ' A' ' 27' ' ' LEU . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.5 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.029 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.477 ' HB2' HD11 ' A' ' 83' ' ' LEU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.174 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.029 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 80' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -33.18 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.48 -64.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.731 ' HA ' HG21 ' A' ' 125' ' ' THR . 8.9 t -163.34 118.41 1.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 41.48 38.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.3 -93.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -141.5 141.61 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.734 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.61 ' N ' HD13 ' A' ' 70' ' ' LEU . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.749 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.174 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD12 ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.753 ' SD ' HD21 ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.776 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' CD ' ' HB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.616 ' CD1' HG23 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.418 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.518 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.776 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.723 ' O ' HD13 ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.481 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 57' ' ' LEU . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 58' ' ' ILE . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.755 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.731 HG21 ' HA ' ' A' ' 63' ' ' SER . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.753 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -47.49 -59.99 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -52.83 161.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -81.18 128.19 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.65 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 151.94 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 m -95.22 -52.32 4.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 98.71 84.06 1.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 139' ' ' SER . 18.3 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER 80.11 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.18 113.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.77 108.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -170.38 148.49 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.58 169.4 21.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 162.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -176.95 167.9 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.73 110.52 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.66 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -134.04 137.45 44.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.69 125.56 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.92 71.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -147.06 144.06 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.54 153.41 0.59 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 171.21 18.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.82 100.66 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.1 -179.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.77 140.48 27.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 22' ' ' ILE . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.831 ' HE2' HG22 ' A' ' 48' ' ' ILE . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.68 ' HA ' HD12 ' A' ' 45' ' ' LEU . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 42' ' ' ASN . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.831 HG22 ' HE2' ' A' ' 20' ' ' LYS . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.876 ' ND1' HD23 ' A' ' 73' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 80' ' ' LEU . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.4 41.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.2 m-20 62.24 108.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 40.15 90.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.4 32.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.67 92.26 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.664 ' HD2' HG23 ' A' ' 58' ' ' ILE . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.588 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.876 HD23 ' ND1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.685 ' N ' HD12 ' A' ' 73' ' ' LEU . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 73' ' ' LEU . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.892 ' HB3' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.599 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.586 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.567 ' O ' HD13 ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 99' ' ' ILE . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.1 OUTLIER -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -51.9 -58.72 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -55.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.77 137.79 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -65.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.8 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 t -164.88 89.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 163.88 112.53 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.82 11.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.39 133.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.1 t -120.13 112.9 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.87 170.36 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 170.55 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -154.05 25.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m 67.08 152.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 168.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 94.48 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.74 4.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -135.07 -179.07 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 142.3 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.96 166.56 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -171.76 140.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.14 153.37 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -177.9 116.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.51 108.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -143.93 33.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m -53.49 126.72 22.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.812 ' HE2' HG22 ' A' ' 48' ' ' ILE . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 58' ' ' ILE . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 32' ' ' LEU . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m80 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.812 HG22 ' HE2' ' A' ' 20' ' ' LYS . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.769 ' ND1' HD23 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 80' ' ' LEU . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD12 ' A' ' 23' ' ' ILE . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.657 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -98.69 41.48 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 81.48 -53.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -160.22 122.03 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.4 OUTLIER 161.6 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.05 54.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -136.82 114.07 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.693 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.796 HD21 HG12 ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.598 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.507 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.598 HD22 HG23 ' A' ' 72' ' ' THR . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.754 ' HB3' HD21 ' A' ' 130' ' ' LEU . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' LYS . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.555 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.657 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.868 HD12 HD23 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.53 ' CE1' HD13 ' A' ' 130' ' ' LEU . 35.3 p80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 126' ' ' ILE . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -53.42 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.12 110.53 22.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.21 160.66 38.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 -45.59 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.86 174.42 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.4 t -175.46 144.6 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.0 157.61 23.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.81 13.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.16 26.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.1 t 75.41 154.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p 178.38 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 168.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 176.54 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.24 136.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.26 171.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.01 102.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 62.57 119.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.5 mt -140.37 130.23 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.85 105.69 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.27 131.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.22 152.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.25 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.98 165.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -175.22 112.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t 61.43 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.576 ' CB ' HD12 ' A' ' 22' ' ' ILE . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.926 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 19' ' ' ASN . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.494 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.606 HG22 HD11 ' A' ' 48' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.926 HG22 ' HE2' ' A' ' 20' ' ' LYS . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.035 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.851 HD13 HD21 ' A' ' 80' ' ' LEU . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -20.72 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 125' ' ' THR . 2.3 t70 -164.98 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.52 ' HA ' HG21 ' A' ' 125' ' ' THR . 57.9 m -166.57 113.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 0.9 OUTLIER 38.84 54.47 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.9 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -144.09 135.14 25.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.035 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.586 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.587 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.587 HG23 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.851 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 124' ' ' PHE . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.698 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' OH ' ' NE2' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.926 HG13 HG22 ' A' ' 121' ' ' VAL . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.56 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 99' ' ' ILE . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.926 HG22 HG13 ' A' ' 112' ' ' ILE . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.552 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.52 HG21 ' HA ' ' A' ' 63' ' ' SER . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.779 HD12 HD23 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 126' ' ' ILE . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -63.78 -64.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -120.79 130.03 53.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -165.96 175.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -139.87 100.82 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 140.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.3 147.64 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.09 83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.3 p -161.2 157.73 26.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 133.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -75.99 108.53 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -151.77 115.47 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.64 106.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -141.19 96.62 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.75 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.63 152.5 19.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 124.74 8.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 72.48 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 11' ' ' TYR . 4.6 tt -46.2 129.45 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.683 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -169.74 171.26 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 64.07 149.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -141.31 154.14 66.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.48 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.56 78.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . . . 56.44 -162.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 3.3 tttp 68.77 60.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m -94.0 135.32 35.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 48' ' ' ILE . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 58' ' ' ILE . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' HD23 ' A' ' 32' ' ' LEU . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.73 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.105 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 1.016 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 1.105 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -28.57 27.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 125' ' ' THR . 1.1 m-20 -138.51 -58.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 60' ' ' PHE . 13.5 p -167.43 -91.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -94.91 50.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -97.32 -95.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -140.5 172.9 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.671 ' CE1' HD11 ' A' ' 32' ' ' LEU . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.668 ' N ' HD13 ' A' ' 70' ' ' LEU . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.701 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 124' ' ' PHE . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 93' ' ' PRO . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.845 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.648 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.845 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.487 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 57' ' ' LEU . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.682 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 62' ' ' ASP . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -48.2 -65.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.89 112.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.3 m 65.69 160.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -66.91 164.28 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -56.16 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.67 95.61 1.01 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.8 24.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 151.86 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -178.82 161.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.46 79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.37 83.67 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 98.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.34 81.62 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.88 -91.62 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -130.5 -174.64 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -144.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.41 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 141.44 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.89 153.3 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t 50.74 55.86 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.12 -146.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 5.3 p 165.36 139.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 32' ' ' LEU . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 27' ' ' LEU . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.4 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 45' ' ' LEU . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 42' ' ' ASN . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 83' ' ' LEU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.914 ' ND1' HD23 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.742 ' CD1' HG22 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 80' ' ' LEU . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.683 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -102.1 66.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 63.35 -83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -137.19 103.17 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 26.5 p -172.26 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 64' ' ' SER . 6.1 t 83.03 49.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.42 101.78 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.705 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.65 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.914 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.543 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 57' ' ' LEU . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.044 HD23 HD12 ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.744 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.96 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 76.9 m-20 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' C ' ' HG1' ' A' ' 110' ' ' THR . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.45 ' HG1' ' C ' ' A' ' 109' ' ' PHE . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 121' ' ' VAL . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.744 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.614 ' O ' HD13 ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 73' ' ' LEU . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 112' ' ' ILE . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 60' ' ' PHE . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.48 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 130' ' ' LEU . 31.8 p80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -49.95 -49.09 51.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.55 -56.28 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 115.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -177.15 121.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 90.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.5 p -136.31 126.44 26.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.19 156.37 26.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.98 28.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.2 t -130.92 -58.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 p -59.66 162.32 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.89 161.35 36.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.74 -57.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.29 178.6 28.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.586 1.179 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.56 170.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.4 144.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 107.21 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.15 40.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 5.3 mtt-85 -123.35 -172.28 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 87.65 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.75 158.2 43.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -175.19 132.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -146.04 153.48 49.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 t 56.55 55.35 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.59 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -174.93 101.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p -67.32 139.36 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 58' ' ' ILE . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 45' ' ' LEU . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.481 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 27' ' ' LEU . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' CE2' ' A' ' 56' ' ' PHE . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.803 ' CE2' HG23 ' A' ' 48' ' ' ILE . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 80' ' ' LEU . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 67' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' CE1' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.752 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.41 -34.63 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -179.34 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 127.57 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -72.51 57.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.62 -51.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -93.54 135.24 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 58' ' ' ILE . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.71 ' CE1' HD22 ' A' ' 59' ' ' LEU . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 74' ' ' SER . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.735 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.643 HD23 HD23 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG13 HG22 ' A' ' 121' ' ' VAL . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.64 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.467 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 HG13 ' A' ' 112' ' ' ILE . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.752 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.944 HD23 HD12 ' A' ' 126' ' ' ILE . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -50.43 -65.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -40.39 160.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 m -101.39 132.05 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -162.42 -64.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.42 175.75 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.1 p -137.2 151.3 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.62 93.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.35 31.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.555 1.818 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.5 m 61.83 135.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 22' ' ' ILE . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD12 HD11 ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.528 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 HD12 ' A' ' 32' ' ' LEU . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 44' ' ' ILE . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG13 HD13 ' A' ' 32' ' ' LEU . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' ND1' ' A' ' 24' ' ' HIS . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.73 HG12 HD21 ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' ND1' HD23 ' A' ' 73' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.104 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.714 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 125' ' ' THR . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.714 ' CD2' HG23 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 83' ' ' LEU . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' ND1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 73' ' ' LEU . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.104 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 70' ' ' LEU . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 91' ' ' VAL . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.686 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.781 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.724 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CD1' HG23 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.644 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.781 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 99' ' ' ILE . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.406 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.484 HG22 HG13 ' A' ' 112' ' ' ILE . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 60' ' ' PHE . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 1.011 HD12 HD23 ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.553 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 8.7 p-80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 1.011 HD23 HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HD2' HG22 ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 32' ' ' LEU . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 ' CD1' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.4 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' CE2' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.06 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.026 ' CE2' HG23 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 80' ' ' LEU . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 67' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 71' ' ' TYR . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.625 ' HB2' HG22 ' A' ' 125' ' ' THR . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.905 ' CD1' HD21 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HD23 ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.06 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.698 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.538 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.046 HD23 HD12 ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG11 ' HE2' ' A' ' 124' ' ' PHE . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 99' ' ' ILE . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.861 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.685 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.829 HG13 HG22 ' A' ' 121' ' ' VAL . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.669 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.861 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.492 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.829 HG22 HG13 ' A' ' 112' ' ' ILE . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.658 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 60' ' ' PHE . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.886 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 58' ' ' ILE . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.743 ' CE1' HD22 ' A' ' 45' ' ' LEU . 1.3 t-80 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD22 HD12 ' A' ' 32' ' ' LEU . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.588 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.2 m170 -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.9 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.886 HG22 ' HE2' ' A' ' 20' ' ' LYS . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.121 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD21 ' CH2' ' A' ' 131' ' ' TRP . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' NE ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 83' ' ' LEU . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.121 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' HE2' ' A' ' 124' ' ' PHE . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 110' ' ' THR . 2.4 m-80 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.61 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.833 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.525 ' SD ' HD22 ' A' ' 73' ' ' LEU . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.498 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 112' ' ' ILE . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.602 ' HE2' HG11 ' A' ' 91' ' ' VAL . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.1 p-80 -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.448 ' CH2' HD21 ' A' ' 59' ' ' LEU . 93.6 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' CB ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 32' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.442 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HG2' HD22 ' A' ' 32' ' ' LEU . 2.9 tt0 -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 45' ' ' LEU . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 32' ' ' LEU . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.642 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.791 ' CE1' HD23 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.842 HD13 HD21 ' A' ' 80' ' ' LEU . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' CD2' ' A' ' 67' ' ' PHE . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.748 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 84' ' ' ALA . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 83' ' ' LEU . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.791 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.62 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.842 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 124' ' ' PHE . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.725 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.817 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.539 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CD1' HG23 ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.839 HG13 HG22 ' A' ' 121' ' ' VAL . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.663 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.839 HG22 HG13 ' A' ' 112' ' ' ILE . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.748 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 60' ' ' PHE . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.555 ' HB ' HD23 ' A' ' 130' ' ' LEU . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.571 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.725 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.515 ' CB ' HD12 ' A' ' 22' ' ' ILE . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.912 ' HE2' HG22 ' A' ' 48' ' ' ILE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 58' ' ' ILE . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.956 HD11 ' CE1' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 45' ' ' LEU . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.912 HG22 ' HE2' ' A' ' 20' ' ' LYS . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.93 ' CE1' HD23 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 80' ' ' LEU . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.542 HG23 ' CD2' ' A' ' 67' ' ' PHE . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.702 ' HB2' HG22 ' A' ' 125' ' ' THR . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.956 ' CE1' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.93 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.564 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.671 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB3' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.523 HG11 ' HE2' ' A' ' 124' ' ' PHE . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.876 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.743 ' SD ' HD21 ' A' ' 130' ' ' LEU . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.825 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.569 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.575 ' ND2' ' HE ' ' A' ' 108' ' ' ARG . 1.5 m-80 -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HE ' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.658 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.825 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.508 ' SD ' HD22 ' A' ' 73' ' ' LEU . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 112' ' ' ILE . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.702 HG22 ' HB2' ' A' ' 60' ' ' PHE . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 129' ' ' HIS . 29.9 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.516 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 3.5 p-80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.743 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.709 ' HE2' HG22 ' A' ' 48' ' ' ILE . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 HD11 ' A' ' 58' ' ' ILE . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 HD12 ' A' ' 32' ' ' LEU . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.696 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 27' ' ' LEU . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 27' ' ' LEU . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 ' HE2' ' A' ' 20' ' ' LYS . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.537 ' ND1' HD23 ' A' ' 73' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.039 HD13 HD21 ' A' ' 80' ' ' LEU . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' CH2' ' A' ' 131' ' ' TRP . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CD1' HD21 ' A' ' 32' ' ' LEU . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 83' ' ' LEU . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' ND1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.039 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.86 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.78 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 121' ' ' VAL . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.86 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.495 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 112' ' ' ILE . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CH2' HD21 ' A' ' 59' ' ' LEU . 73.0 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' HD2' HG21 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.0 m170 -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 ' CE2' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.702 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.557 HD11 HG22 ' A' ' 44' ' ' ILE . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.052 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 HD12 ' A' ' 23' ' ' ILE . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 83' ' ' LEU . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.052 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.647 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.576 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.576 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.437 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.58 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.71 HG11 ' HE2' ' A' ' 124' ' ' PHE . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 93' ' ' PRO . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.762 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.611 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.657 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.717 ' O ' HD13 ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.461 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.442 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.45 HG22 HG13 ' A' ' 112' ' ' ILE . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.71 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.451 ' CB ' HD12 ' A' ' 22' ' ' ILE . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 19' ' ' ASN . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 32' ' ' LEU . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.821 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 27' ' ' LEU . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.821 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.561 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.698 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE1' ' A' ' 56' ' ' PHE . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.027 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 67' ' ' PHE . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.872 ' HB2' HG22 ' A' ' 125' ' ' THR . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CD1' HD21 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.064 HD12 HD23 ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' CD2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.027 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 73' ' ' LEU . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.58 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' LEU . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD12 ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' LEU . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 124' ' ' PHE . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 96' ' ' VAL . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' THR . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 121' ' ' VAL . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.76 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.663 ' O ' HD13 ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 112' ' ' ILE . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.661 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.872 HG22 ' HB2' ' A' ' 60' ' ' PHE . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 95' ' ' MET . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.587 ' CB ' HD12 ' A' ' 22' ' ' ILE . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.56 HG21 HD11 ' A' ' 70' ' ' LEU . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 28.9 t-80 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.3 m170 -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 27' ' ' LEU . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 84' ' ' ALA . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.619 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.158 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 HD22 ' A' ' 83' ' ' LEU . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.158 HD23 ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 47' ' ' GLU . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.728 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.653 ' SD ' HD21 ' A' ' 130' ' ' LEU . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.779 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 101' ' ' LYS . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.779 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.692 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.501 ' N ' HG22 ' A' ' 116' ' ' THR . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.441 ' OG ' HG23 ' A' ' 121' ' ' VAL . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' OG ' ' A' ' 118' ' ' SER . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.511 HG22 ' HB2' ' A' ' 60' ' ' PHE . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.734 HD12 HD23 ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.448 ' CD2' HD13 ' A' ' 130' ' ' LEU . 6.6 p-80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.816 ' HD2' HG22 ' A' ' 48' ' ' ILE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 HD12 ' A' ' 45' ' ' LEU . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.617 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.816 HG22 ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' ILE . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 23' ' ' ILE . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.935 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 125' ' ' THR . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 74' ' ' SER . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.653 ' N ' HD12 ' A' ' 73' ' ' LEU . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.83 ' CD2' HD13 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 124' ' ' PHE . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.435 ' HE3' HD13 ' A' ' 130' ' ' LEU . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.785 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.649 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.833 HG13 HG22 ' A' ' 121' ' ' VAL . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.785 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.517 ' O ' HD13 ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.833 HG22 HG13 ' A' ' 112' ' ' ILE . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.935 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 60' ' ' PHE . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.743 ' HB ' HD12 ' A' ' 130' ' ' LEU . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 130' ' ' LEU . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 126' ' ' ILE . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.602 ' CB ' HD12 ' A' ' 22' ' ' ILE . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 19' ' ' ASN . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 58' ' ' ILE . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.81 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.2 m170 -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' CD2' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' ' HB2' ' A' ' 84' ' ' ALA . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.819 HG12 HD21 ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.423 ' OG ' HG21 ' A' ' 72' ' ' THR . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CD1' HG22 ' A' ' 72' ' ' THR . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 80' ' ' LEU . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 23' ' ' ILE . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.717 ' HB2' HG22 ' A' ' 125' ' ' THR . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.819 HD21 HG12 ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.777 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.762 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.747 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.476 ' O ' HD13 ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' HD21 ' A' ' 57' ' ' LEU . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.885 HD12 HD23 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 17.8 p-80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.885 HD23 HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 69.1 m95 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' A' ' 22' ' ' ILE . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.858 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.2 t-80 -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 23' ' ' ILE . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 48' ' ' ILE . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB2' HD11 ' A' ' 83' ' ' LEU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.915 ' CE1' HD23 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 80' ' ' LEU . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 67' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.622 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.081 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 70' ' ' LEU . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.728 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.915 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 73' ' ' LEU . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.081 HD23 HD12 ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.772 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.664 ' CD1' HG23 ' A' ' 22' ' ' ILE . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.655 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.847 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.527 ' O ' HD13 ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.421 ' HE3' ' CG2' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.487 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.612 ' CG1' HD21 ' A' ' 57' ' ' LEU . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 60' ' ' PHE . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 60' ' ' PHE . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.648 HD12 HD23 ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.641 HG23 ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.488 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 32' ' ' LEU . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m170 -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.775 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.0 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 83' ' ' LEU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD23 ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 70' ' ' LEU . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 HG12 ' A' ' 126' ' ' ILE . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.896 ' HB2' HG22 ' A' ' 125' ' ' THR . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.987 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 70' ' ' LEU . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.178 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.572 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.564 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.564 HG23 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.987 HD23 HD12 ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.722 HG11 ' HE2' ' A' ' 124' ' ' PHE . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.781 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CD1' HG23 ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.508 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.405 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.653 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.784 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 112' ' ' ILE . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.722 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.896 HG22 ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.466 HG12 HD11 ' A' ' 59' ' ' LEU . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 92.7 m95 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.839 HD22 HD12 ' A' ' 32' ' ' LEU . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD12 HD22 ' A' ' 27' ' ' LEU . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.6 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.029 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.477 ' HB2' HD11 ' A' ' 83' ' ' LEU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.174 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.029 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 80' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.734 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.61 ' N ' HD13 ' A' ' 70' ' ' LEU . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.749 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.174 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD12 ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.753 ' SD ' HD21 ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.776 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' CD ' ' HB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.616 ' CD1' HG23 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.418 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.518 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.776 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.723 ' O ' HD13 ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.481 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 57' ' ' LEU . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 58' ' ' ILE . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.755 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 60' ' ' PHE . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.753 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 22' ' ' ILE . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.831 ' HE2' HG22 ' A' ' 48' ' ' ILE . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.594 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.68 ' HA ' HD12 ' A' ' 45' ' ' LEU . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 42' ' ' ASN . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.831 HG22 ' HE2' ' A' ' 20' ' ' LYS . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.876 ' ND1' HD23 ' A' ' 73' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 80' ' ' LEU . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.664 ' HD2' HG23 ' A' ' 58' ' ' ILE . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.588 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.876 HD23 ' ND1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.685 ' N ' HD12 ' A' ' 73' ' ' LEU . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 73' ' ' LEU . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.892 ' HB3' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.594 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.599 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.586 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.567 ' O ' HD13 ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 99' ' ' ILE . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 1.7 mt-30 -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 . . . . . 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.812 ' HE2' HG22 ' A' ' 48' ' ' ILE . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 58' ' ' ILE . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 32' ' ' LEU . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.4 m-70 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.812 HG22 ' HE2' ' A' ' 20' ' ' LYS . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.769 ' ND1' HD23 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 80' ' ' LEU . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD12 ' A' ' 23' ' ' ILE . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.657 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.693 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.796 HD21 HG12 ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.598 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.769 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.507 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.598 HD22 HG23 ' A' ' 72' ' ' THR . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.754 ' HB3' HD21 ' A' ' 130' ' ' LEU . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' LYS . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.555 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.657 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.868 HD12 HD23 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.434 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 22.0 p-80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 126' ' ' ILE . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.576 ' CB ' HD12 ' A' ' 22' ' ' ILE . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.926 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 19' ' ' ASN . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.494 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.407 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.606 HG22 HD11 ' A' ' 48' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.926 HG22 ' HE2' ' A' ' 20' ' ' LYS . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.035 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.851 HD13 HD21 ' A' ' 80' ' ' LEU . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.035 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.586 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.587 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.587 HG23 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.851 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 124' ' ' PHE . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.698 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.602 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.926 HG13 HG22 ' A' ' 121' ' ' VAL . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.56 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 99' ' ' ILE . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.926 HG22 HG13 ' A' ' 112' ' ' ILE . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.552 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.779 HD12 HD23 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 126' ' ' ILE . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 48' ' ' ILE . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 58' ' ' ILE . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 15.8 t-80 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' HD23 ' A' ' 32' ' ' LEU . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.73 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.105 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 1.016 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 1.105 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.671 ' CE1' HD11 ' A' ' 32' ' ' LEU . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.668 ' N ' HD13 ' A' ' 70' ' ' LEU . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.701 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 124' ' ' PHE . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 93' ' ' PRO . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.845 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.648 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.845 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.487 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 57' ' ' LEU . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.682 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 54' ' ' ASN . 5.3 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 32' ' ' LEU . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 27' ' ' LEU . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 45' ' ' LEU . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 42' ' ' ASN . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 83' ' ' LEU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.914 ' ND1' HD23 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.742 ' CD1' HG22 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 80' ' ' LEU . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.683 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.705 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.65 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.914 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.543 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 57' ' ' LEU . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.044 HD23 HD12 ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.744 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.96 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 27.6 m120 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' A' ' 101' ' ' LYS . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 121' ' ' VAL . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.744 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.614 ' O ' HD13 ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 73' ' ' LEU . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 112' ' ' ILE . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 60' ' ' PHE . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.417 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.54 ' CD2' HD13 ' A' ' 130' ' ' LEU . 36.7 p-80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 58' ' ' ILE . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 7.7 t-80 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 45' ' ' LEU . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.481 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 27' ' ' LEU . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' CE2' ' A' ' 56' ' ' PHE . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.803 ' CE2' HG23 ' A' ' 48' ' ' ILE . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 80' ' ' LEU . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 67' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' CE1' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.752 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 58' ' ' ILE . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.71 ' CE1' HD22 ' A' ' 59' ' ' LEU . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 74' ' ' SER . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.735 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.643 HD23 HD23 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.606 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG13 HG22 ' A' ' 121' ' ' VAL . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.64 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.759 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.467 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 HG13 ' A' ' 112' ' ' ILE . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.752 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.944 HD23 HD12 ' A' ' 126' ' ' ILE . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -143.37 96.36 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 167.58 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.03 119.39 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.69 166.39 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.79 171.45 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.22 -113.11 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.76 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -129.4 -166.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.41 -147.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -161.09 91.0 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -129.43 132.93 47.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -40.38 152.34 0.23 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.98 19.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 p -137.43 107.79 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 99.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -131.42 33.49 4.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -40.36 142.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 22' ' ' ILE . 36.0 p-10 -130.79 41.55 3.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 4.4 ttmt -76.38 -48.3 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.54 -25.21 67.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.639 HG23 ' CD1' ' A' ' 102' ' ' TYR . 50.0 mt -73.58 -28.12 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD12 HD11 ' A' ' 58' ' ' ILE . 19.6 mm -82.42 -49.43 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.528 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -42.6 -28.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.581 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 58.7 m-20 -89.72 -43.3 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -46.82 -31.42 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD22 HD12 ' A' ' 32' ' ' LEU . 19.9 mt -73.46 -50.24 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -0.22 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.542 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -83.74 -48.5 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -178.41 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 91.2 m -39.69 -44.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD13 HG13 ' A' ' 44' ' ' ILE . 37.2 mt -144.81 47.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -108.24 127.22 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.88 165.71 11.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -72.06 -36.42 69.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.83 -24.97 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 28.3 m-20 -114.62 31.51 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.1 tt0 -79.29 -41.47 1.57 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -74.99 -41.99 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.3 tt0 -69.08 -56.13 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.65 -52.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -55.79 -48.36 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mtt180 -53.67 -36.33 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG13 HD13 ' A' ' 32' ' ' LEU . 3.9 mm -75.26 -45.24 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD22 ' ND1' ' A' ' 24' ' ' HIS . 45.9 mt -56.53 -35.26 67.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 mt-10 -72.61 -59.84 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' GLU . 64.4 mm-40 -38.54 -48.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.73 HG12 HD21 ' A' ' 70' ' ' LEU . 8.1 mt -60.82 -53.02 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -33.56 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -75.67 141.63 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.82 26.24 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -88.25 154.28 20.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -110.83 -28.86 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' ND1' HD23 ' A' ' 73' ' ' LEU . 10.3 t-160 -111.66 119.46 38.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.572 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 96.6 m-85 -124.06 136.76 54.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.104 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -115.6 155.17 28.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.714 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.5 mt -109.1 121.99 63.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.22 120.51 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 125' ' ' THR . 37.8 m-85 -102.99 175.74 5.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' CB ' ' HB3' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -77.93 -41.73 35.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 169.85 106.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 68.53 84.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 63' ' ' SER . 11.4 p 36.7 46.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.945 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 61' ' ' ARG . 1.2 t -91.58 72.16 5.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 108.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 65' ' ' CYS . 5.7 mt-30 48.83 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.228 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.714 ' CD2' HG23 ' A' ' 58' ' ' ILE . 7.7 t80 -88.26 139.11 30.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.23 -41.65 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -167.12 152.41 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 83' ' ' LEU . 22.2 tp -100.32 151.01 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 27.1 m-85 -146.59 156.99 43.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.548 HG22 ' CD2' ' A' ' 56' ' ' PHE . 8.7 p -112.09 141.96 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' ND1' ' A' ' 55' ' ' HIS . 7.3 tp -87.05 131.91 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.53 ' N ' HD12 ' A' ' 73' ' ' LEU . 44.3 m -79.49 114.1 18.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.07 -18.02 59.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -78.36 -31.22 48.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -140.23 -144.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -124.47 5.18 8.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.69 160.78 29.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.104 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mt -122.84 133.71 54.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.5 t -100.59 148.54 24.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.6 OUTLIER -75.81 109.53 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.79 HD23 HD23 ' A' ' 70' ' ' LEU . 24.3 tp -78.77 -59.93 2.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.31 174.67 14.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.89 -125.9 8.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -164.84 112.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.82 -154.43 12.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.96 126.96 10.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -36.44 -49.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 91' ' ' VAL . 15.5 m -131.51 165.16 24.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 80' ' ' LEU . 69.5 t -138.49 131.74 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 50.7 p -100.45 163.5 18.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -75.0 -7.99 19.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.73 -27.99 26.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.686 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.0 mtm -87.02 -21.35 26.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.31 116.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -77.16 -53.48 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.75 162.55 27.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.781 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.8 pt -129.39 153.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.724 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 5.6 m-85 -145.35 163.28 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -122.2 -176.31 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.639 ' CD1' HG23 ' A' ' 22' ' ' ILE . 16.5 t80 -128.42 114.25 16.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -64.42 100.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.96 5.35 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.77 -37.07 4.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -10.22 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ASN . 39.7 mttt 63.52 42.27 6.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 103' ' ' ASN . 18.1 mmt180 -130.76 -175.33 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.84 145.0 42.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.432 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 17.9 m -138.23 161.97 35.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.55 161.79 13.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.644 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -103.43 141.15 21.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -6.53 18.17 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.781 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -115.51 162.69 16.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.65 4.73 26.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.546 ' O ' HD13 ' A' ' 99' ' ' ILE . 63.4 m -101.74 161.07 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.406 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.38 154.29 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.5 m -171.2 151.38 3.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.81 -14.77 9.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 m -90.2 27.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.052 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.484 HG22 HG13 ' A' ' 112' ' ' ILE . 64.9 t -120.47 152.54 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 3.4 m-20 -156.81 26.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.57 141.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 4.5 p90 -153.79 160.59 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 60' ' ' PHE . 24.9 p -136.75 111.55 8.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 1.011 HD12 HD23 ' A' ' 130' ' ' LEU . 35.5 pt -57.44 176.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -179.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.26 -28.87 6.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.553 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 8.7 p-80 -67.16 -11.97 58.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 1.011 HD23 HD12 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -68.46 -62.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -53.55 -63.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 107.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -52.35 162.98 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 142.92 33.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -170.44 -64.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -173.63 173.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.0 m -165.06 144.35 6.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.74 8.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.48 6.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.6 p -164.7 122.9 1.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.055 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.1 m -159.6 -53.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.73 109.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.55 163.21 12.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.968 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.88 -153.8 7.91 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m 61.96 132.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.26 160.58 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 -146.53 18.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 107.17 2.42 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -39.37 105.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.21 134.1 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -119.75 98.24 6.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 138.37 24.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -146.4 153.59 48.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -177.63 3.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.7 77.5 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 91.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -161.88 38.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' LYS . 72.9 m -39.22 142.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.028 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -125.93 53.59 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HD2' HG22 ' A' ' 48' ' ' ILE . 7.1 tttp -92.49 -48.28 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -65.52 -22.08 66.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.634 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 40.9 mt -76.12 -30.21 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.8 mm -81.12 -46.68 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.5 -38.37 4.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.611 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.6 m-80 -82.17 -35.08 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -58.56 -35.18 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 HD12 ' A' ' 32' ' ' LEU . 25.4 mt -71.22 -50.08 36.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -76.72 -0.15 22.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 1.7 m170 -84.04 -48.07 10.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 11.5 t -178.46 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 60.2 m -39.08 -46.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD21 ' CD1' ' A' ' 67' ' ' PHE . 52.8 mt -141.4 43.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -107.17 127.55 53.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.19 -172.26 26.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -92.4 -38.22 12.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -40.6 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.0 m-20 -99.4 34.69 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 9.9 tt0 -79.34 -41.38 1.55 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.02 -41.16 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.4 tt0 -69.18 -57.14 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 24.0 ttpt -37.18 -56.64 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -51.22 -50.94 58.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -54.41 -36.05 63.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -71.17 -49.3 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.1 mt -54.06 -49.31 69.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.8 mm-40 -65.85 -51.3 59.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -49.45 -53.31 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.026 HG23 ' CE2' ' A' ' 56' ' ' PHE . 44.9 mt -58.01 -48.94 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.23 -30.99 70.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -82.39 -23.25 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.3 t -71.54 142.72 50.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -98.0 30.16 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -115.71 153.67 30.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -112.37 -13.87 13.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.06 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.9 t-160 -105.41 108.55 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.64 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.026 ' CE2' HG23 ' A' ' 48' ' ' ILE . 68.3 m-85 -118.02 167.06 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 80' ' ' LEU . 5.3 mp -155.18 149.47 26.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 67' ' ' PHE . 2.0 mt -98.82 128.28 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD22 ' CE1' ' A' ' 71' ' ' TYR . 37.7 tp -90.65 112.52 24.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.625 ' HB2' HG22 ' A' ' 125' ' ' THR . 49.5 m-85 -97.23 -178.04 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -95.98 -30.64 13.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.516 ' O ' HG21 ' A' ' 125' ' ' THR . 3.1 m-20 -137.62 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.538 ' HA ' HG21 ' A' ' 125' ' ' THR . 68.6 p -177.5 116.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.552 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 31.0 t 39.05 49.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.2 t -109.88 -73.86 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -143.83 140.32 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.905 ' CD1' HD21 ' A' ' 32' ' ' LEU . 24.2 t80 -68.57 133.24 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -111.37 -31.96 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -174.41 157.73 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.046 HD12 HD23 ' A' ' 83' ' ' LEU . 3.3 tm? -106.05 140.94 38.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.4 m-85 -134.73 166.52 22.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.671 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -123.05 130.7 53.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.06 HD23 ' CE1' ' A' ' 55' ' ' HIS . 9.8 tp -81.72 137.62 35.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.698 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -84.44 118.9 24.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.37 -17.5 72.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.538 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.0 pm0 -74.13 -31.16 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.0 p -138.67 -145.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -120.09 -2.08 10.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.9 mp0 -80.26 161.76 24.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.92 -170.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.4 t -153.32 138.25 17.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.3 ttt180 -70.42 103.62 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.046 HD23 HD12 ' A' ' 70' ' ' LEU . 50.3 tp -76.17 -61.2 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.93 171.15 20.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 105.52 -102.86 2.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.556 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 1.3 m-85 174.99 129.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 162.99 -155.11 26.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -38.42 -49.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.6 m -128.21 169.2 14.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.432 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG11 ' HE2' ' A' ' 124' ' ' PHE . 75.7 t -146.87 129.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 2.8 p -103.93 166.54 11.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -8.65 20.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.47 -24.14 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.481 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 7.0 mtm -93.5 -25.07 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 99' ' ' ILE . 41.4 t -61.22 119.91 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.52 -43.97 37.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.37 145.87 13.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.861 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.6 pt -113.42 153.62 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.1 m-85 -146.96 164.36 33.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.685 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -114.69 -179.63 3.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.634 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 31.2 t80 -126.34 119.99 28.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -77.2 101.89 6.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 1.68 19.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 -41.22 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -92.38 -25.68 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 103' ' ' ASN . 19.2 mttt 75.74 33.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -130.95 174.63 9.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -109.89 137.9 47.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.9 m -121.7 163.21 19.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.366 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 1.7 tt0 -92.84 145.04 24.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.829 HG13 HG22 ' A' ' 121' ' ' VAL . 1.9 mm -93.55 141.92 24.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.669 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.97 -5.48 16.85 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.861 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.78 152.42 26.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 6.73 39.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 99' ' ' ILE . 21.4 m -111.59 169.25 8.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -73.78 133.49 43.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -150.26 154.52 38.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.492 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -58.27 -15.27 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -91.44 33.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.829 HG22 HG13 ' A' ' 112' ' ' ILE . 78.7 t -130.0 146.55 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -147.63 20.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.753 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -172.43 154.18 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.658 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -165.84 159.82 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.625 HG22 ' HB2' ' A' ' 60' ' ' PHE . 14.6 p -141.95 119.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.3 pt -73.04 160.1 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.15 166.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.25 -37.45 11.08 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -56.24 -26.61 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.481 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 36.9 mt -70.29 -41.91 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -63.74 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.01 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -57.78 105.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.3 m 69.86 140.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -90.58 147.5 23.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 42.27 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.1 t -80.75 -52.93 6.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -126.19 169.82 18.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.53 6.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 26.4 p -166.44 146.75 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.67 160.39 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.16 170.5 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.0 167.49 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.55 175.88 45.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -74.05 167.82 20.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.0 108.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.954 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.08 -170.97 36.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.65 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -73.87 105.16 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.0 mt -82.44 131.75 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -153.49 -175.27 5.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttm 62.62 138.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.39 153.3 0.46 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.82 8.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.31 100.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.07 162.06 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -176.44 105.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.8 p -83.12 146.93 28.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -127.22 28.02 5.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.886 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.9 tttt -65.1 -45.27 85.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.25 -28.18 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 102' ' ' TYR . 60.1 mt -72.23 -26.99 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 58' ' ' ILE . 23.5 mm -85.74 -44.83 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.743 ' CE1' HD22 ' A' ' 45' ' ' LEU . 1.3 t-80 -44.76 -35.64 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.6 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' HIS . 20.2 m-80 -86.01 -34.22 20.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -59.21 -31.54 69.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD22 HD12 ' A' ' 32' ' ' LEU . 22.7 mt -74.44 -52.7 11.29 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.1 -1.95 25.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.588 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.2 m170 -81.83 -47.23 13.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.601 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -179.83 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 72.3 m -41.41 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 67' ' ' PHE . 39.4 mt -148.88 37.97 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -103.89 126.82 51.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.15 -165.54 30.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -94.43 -53.56 3.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.2 m -50.64 -36.72 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 50.0 m-20 -97.22 27.44 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.66 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 7.5 tt0 -78.97 -41.52 1.65 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -42.56 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.9 tt0 -68.25 -55.5 11.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.7 ttpt -38.17 -53.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.8 m-80 -54.85 -49.19 71.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.1 mmt180 -55.23 -41.16 71.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.664 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.6 mm -68.09 -47.52 78.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.743 HD22 ' CE1' ' A' ' 24' ' ' HIS . 30.7 mt -52.16 -46.14 65.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -66.1 -62.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -38.72 -48.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.886 HG22 ' HE2' ' A' ' 20' ' ' LYS . 43.5 mt -63.19 -48.07 89.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' GLU . 14.0 mm-40 -62.72 -25.43 68.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -88.18 -29.43 20.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.7 130.15 40.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -92.57 33.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.16 162.36 12.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -113.74 -12.89 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.121 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.7 t-160 -111.41 128.94 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -141.12 117.1 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 5.1 mp -105.63 168.07 9.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 60' ' ' PHE . 7.4 mt -123.71 123.47 67.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD21 ' CH2' ' A' ' 131' ' ' TRP . 19.1 tp -85.98 135.07 33.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' O ' ' A' ' 65' ' ' CYS . 22.9 m-85 -117.19 159.03 23.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' NE ' ' HE ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -84.52 48.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 59.5 113.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 m 40.05 35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -105.18 -42.1 5.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.584 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER 83.07 -54.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.23 114.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.9 t80 -43.66 131.99 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HE ' ' NE ' ' A' ' 61' ' ' ARG . 7.6 mmt-85 -113.85 -34.74 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.33 142.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 83' ' ' LEU . 7.7 tp -92.21 153.72 19.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 38.8 m-85 -146.39 154.27 41.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 p -108.9 129.83 55.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.121 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.9 tp -84.68 133.17 34.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.633 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.7 m -82.06 119.39 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.52 -18.32 73.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 1.6 pm0 -73.65 -31.01 63.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.771 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.0 p -136.34 -146.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.467 ' OE1' ' CG2' ' A' ' 116' ' ' THR . 37.8 mt-10 -122.61 -0.07 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.3 mp0 -82.27 163.38 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -110.49 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -151.38 134.03 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.5 OUTLIER -67.65 104.92 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.979 HD23 HD23 ' A' ' 70' ' ' LEU . 65.5 tp -80.58 -61.08 2.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.24 165.95 32.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.27 -119.35 5.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -175.31 118.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.65 -150.0 10.51 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.96 126.14 9.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 89' ' ' ARG . 23.9 ttm105 -38.23 -41.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -137.34 168.85 18.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG11 ' HE2' ' A' ' 124' ' ' PHE . 69.6 t -141.25 133.93 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 69.4 p -106.55 162.59 19.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -74.99 -6.43 18.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.33 -9.98 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.492 ' SD ' HD11 ' A' ' 130' ' ' LEU . 6.0 mtm -104.79 -25.04 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.2 p -66.96 125.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -84.86 -53.55 5.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.46 157.71 23.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.4 pt -130.84 152.99 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.1 m-85 -144.31 159.85 42.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.514 ' HE3' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -115.58 179.78 3.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 5.3 t80 -118.77 115.25 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 110' ' ' THR . 2.4 m-80 -77.34 100.27 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.73 8.93 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.06 -43.05 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.79 -9.35 31.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.0 mttt 61.75 37.79 15.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -132.98 -170.03 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.43 141.29 48.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.484 ' CG2' ' HD3' ' A' ' 101' ' ' LYS . 15.3 m -128.93 163.34 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.32 160.43 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.61 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -100.16 141.59 23.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.02 -4.77 15.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.833 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -120.36 163.05 18.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 2.1 25.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.556 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.9 m -95.93 166.35 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.525 ' SD ' HD22 ' A' ' 73' ' ' LEU . 7.3 mmt -73.87 156.85 37.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 p -176.42 154.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.498 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.8 mmt -60.42 -13.34 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -91.81 34.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 112' ' ' ILE . 69.0 t -127.25 141.66 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -140.82 18.89 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -178.64 150.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.602 ' HE2' HG11 ' A' ' 91' ' ' VAL . 3.2 p90 -161.61 151.04 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.5 p -129.85 122.02 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.9 pt -72.36 157.49 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.18 160.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.43 -40.41 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.1 p-80 -53.04 -36.24 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.647 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 46.5 mt -56.52 -48.72 76.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.448 ' CH2' HD21 ' A' ' 59' ' ' LEU . 93.6 m95 -65.94 -63.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -55.54 102.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.53 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.85 -176.88 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.61 126.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 65.4 p -160.55 151.04 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -37.88 104.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 71.18 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -63.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.92 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m 67.38 166.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 170.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.31 -157.87 9.48 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.42 145.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.37 158.14 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.22 -166.97 38.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.17 3.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.464 1.77 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -111.18 99.11 8.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 10' ' ' LEU . 3.7 mm? -80.29 132.9 35.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.9 140.73 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 68.46 152.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 154.0 44.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.72 4.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.5 m -75.73 100.48 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' SER . . . 66.85 142.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.76 133.57 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.77 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.947 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' CB ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -119.36 23.44 11.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 15.6 ttmt -54.75 -50.99 67.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.51 -30.57 69.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' A' ' 102' ' ' TYR . 67.2 mt -69.29 -25.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' ALA . 22.4 mm -82.45 -48.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.562 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -43.05 -34.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' HIS . 8.1 m-20 -82.11 -42.71 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -54.88 -29.16 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.785 HD22 HD12 ' A' ' 32' ' ' LEU . 28.2 mt -74.34 -54.34 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.442 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 1.3 m -73.1 -3.89 29.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.969 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -78.71 -48.26 15.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -178.51 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 99.7 m -40.8 -44.28 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 53.8 mt -146.11 51.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -117.93 127.21 53.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 136.45 161.26 9.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -58.7 -30.18 67.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.9 -37.87 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 76.8 m-20 -105.13 22.46 15.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.673 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.8 tt0 -80.57 -40.98 1.23 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.05 -40.64 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.449 1.763 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.6 ' HG2' HD22 ' A' ' 32' ' ' LEU . 2.9 tt0 -70.92 -54.8 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 45' ' ' LEU . 25.5 ttpt -37.9 -52.48 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.473 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 18.7 m-80 -53.87 -49.66 68.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.9 mmt180 -53.64 -35.7 61.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.556 HG13 HD13 ' A' ' 32' ' ' LEU . 5.0 mm -74.36 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 5.0 mp -40.7 -38.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.02 -61.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' HA ' ' CD ' ' A' ' 50' ' ' LYS . 37.3 mm-40 -44.97 -37.75 4.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.642 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 70.4 mt -66.77 -67.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.37 -33.93 31.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -79.06 -23.98 43.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ILE . 12.3 t -77.37 143.41 38.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -92.68 27.63 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -105.18 148.91 26.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -108.84 -23.72 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.791 ' CE1' HD23 ' A' ' 73' ' ' LEU . 7.7 t-160 -104.43 109.92 21.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 86.0 m-85 -117.61 129.72 55.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.842 HD13 HD21 ' A' ' 80' ' ' LEU . 3.6 mp -111.94 166.99 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG23 ' CD2' ' A' ' 67' ' ' PHE . 22.7 mt -119.69 130.05 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ARG . 49.1 tp -93.4 113.45 25.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.748 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 14.8 m-85 -95.0 137.03 34.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 tpt85 -41.04 -41.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -164.84 -63.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 t -179.2 73.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.73 31.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 18.0 m 44.76 71.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -138.43 77.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 16.8 t80 -37.6 123.73 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.25 -33.11 6.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 84' ' ' ALA . . . -178.9 143.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 83' ' ' LEU . 5.6 tp -90.84 153.96 19.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 37.2 m-85 -143.34 163.02 34.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 p -117.99 126.47 52.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.791 HD23 ' CE1' ' A' ' 55' ' ' HIS . 8.8 tp -78.87 133.2 36.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.62 ' N ' HD12 ' A' ' 73' ' ' LEU . 1.6 m -83.26 118.64 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.61 79.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 p -136.56 -146.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -126.16 1.32 7.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.88 159.89 27.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.842 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -116.41 157.28 25.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.7 t -121.22 140.64 51.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt180 -71.64 100.37 2.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 70' ' ' LEU . 61.5 tp -71.25 -62.62 1.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -148.7 177.66 9.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.57 -113.5 4.74 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -179.58 118.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.51 -153.11 12.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -74.98 130.65 13.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -37.89 -50.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.3 m -128.04 168.92 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG11 ' HE2' ' A' ' 124' ' ' PHE . 48.5 t -145.68 128.43 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 p -103.73 166.34 11.88 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 110.429 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.11 -32.16 39.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.725 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -85.84 -25.27 26.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.09 119.99 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -80.53 -43.21 21.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.15 164.88 31.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.817 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -133.83 154.06 37.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 6.5 m-85 -152.62 149.88 28.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.135 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.539 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -104.52 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CD1' HG23 ' A' ' 22' ' ' ILE . 25.7 t80 -119.85 113.17 20.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.34 101.59 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.6 p -80.93 -13.93 58.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.94 -42.64 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -91.76 -11.58 36.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 77.9 mttt 58.56 44.18 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -139.5 -175.59 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -115.17 138.99 50.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.5 m -131.17 153.8 49.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -96.82 150.87 20.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.839 HG13 HG22 ' A' ' 121' ' ' VAL . 1.7 mm -92.35 142.32 25.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.663 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.97 -3.39 13.85 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.549 1.815 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.817 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.25 157.07 21.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -104.82 5.44 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.474 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.1 m -105.9 164.95 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 154.3 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -171.72 155.73 4.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.516 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.46 -11.4 15.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.0 m -95.4 40.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.839 HG22 HG13 ' A' ' 112' ' ' ILE . 97.3 t -135.83 142.04 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.83 16.22 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.748 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.72 140.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.1 p90 -149.59 150.96 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 60' ' ' PHE . 70.6 p -128.63 120.54 26.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.555 ' HB ' HD23 ' A' ' 130' ' ' LEU . 39.9 pt -72.76 177.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.571 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -64.28 -179.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.54 -56.78 1.72 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.3 p80 -39.18 -31.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.725 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -56.49 -61.52 2.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -50.07 -49.83 50.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -51.05 -55.77 15.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.76 168.32 27.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 6.44 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -115.76 128.04 55.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -134.36 -51.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 124.03 98.12 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.68 9.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 48.0 t -168.18 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t -87.89 170.59 11.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -175.7 168.92 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.82 168.82 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.54 172.61 44.99 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -161.03 73.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -169.4 130.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.06 107.84 0.63 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 135.0 18.6 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.79 -162.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 86.44 129.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -37.8 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.41 155.18 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -92.75 154.66 42.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.93 115.62 29.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.951 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 177.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.83 143.35 43.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.57 120.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.031 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.515 ' CB ' HD12 ' A' ' 22' ' ' ILE . 6.9 p-10 -125.8 35.29 4.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.912 ' HE2' HG22 ' A' ' 48' ' ' ILE . 4.8 tttt -65.15 -54.13 34.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -60.05 -26.58 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.692 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.9 mt -71.45 -22.96 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -84.68 -43.67 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -48.6 -36.51 15.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.615 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 5.9 m-80 -81.94 -40.95 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -52.16 -37.72 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 HD12 ' A' ' 45' ' ' LEU . 21.0 mt -67.29 -53.67 27.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 2.2 m -71.04 -5.51 31.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.952 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.575 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 3.1 m170 -80.47 -47.54 14.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER 179.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 58' ' ' ILE . 33.0 m -41.05 -42.88 2.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 108.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.956 HD11 ' CE1' ' A' ' 67' ' ' PHE . 18.0 mt -150.8 55.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -120.8 125.94 48.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.43 175.27 22.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -71.14 -45.6 63.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 m -63.12 -32.51 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 83.2 m-20 -101.02 20.6 15.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.665 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.5 tt0 -79.39 -40.68 1.49 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.02 -45.31 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.3 tt0 -65.58 -53.9 35.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 45' ' ' LEU . 26.8 ttpt -38.14 -53.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 14.2 m-80 -53.69 -48.28 69.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mmt180 -55.99 -38.23 70.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -70.55 -61.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 3.4 mp -39.76 -39.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.89 -60.55 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' OE1' ' HB3' ' A' ' 84' ' ' ALA . 12.0 mt-10 -38.01 -52.1 1.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.912 HG22 ' HE2' ' A' ' 20' ' ' LYS . 70.6 mt -56.98 -51.35 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.16 -41.77 89.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -34.77 74.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.3 t -76.9 139.94 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.37 23.6 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' CE2' ' A' ' 56' ' ' PHE . . . -92.56 152.85 19.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -119.46 -3.66 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.93 ' CE1' HD23 ' A' ' 73' ' ' LEU . 6.8 t-160 -118.1 93.76 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 99.5 m-85 -109.23 122.49 47.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.671 HD13 HD21 ' A' ' 80' ' ' LEU . 2.9 mp -104.85 167.34 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.542 HG23 ' CD2' ' A' ' 67' ' ' PHE . 28.1 mt -118.56 119.62 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.8 tp -86.36 109.3 18.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.702 ' HB2' HG22 ' A' ' 125' ' ' THR . 13.9 m-85 -86.78 158.22 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -38.01 89.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -171.84 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.37 76.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 t -166.6 30.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 44.04 66.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 108.242 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -135.78 78.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.956 ' CE1' HD11 ' A' ' 32' ' ' LEU . 41.0 t80 -40.59 135.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -38.02 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -173.92 137.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -84.89 151.57 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.7 m-85 -144.07 152.29 40.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.1 p -110.54 130.89 55.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.93 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.4 tp -84.15 134.29 34.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.564 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -79.88 121.95 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.965 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.5 -4.85 71.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.4 pm0 -88.56 -30.58 19.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.556 HG23 ' CG ' ' A' ' 76' ' ' GLU . 41.2 p -135.01 -145.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.19 -3.37 9.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.57 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 mp0 -81.26 163.31 23.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.671 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -109.87 -171.7 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 t -150.58 135.79 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.525 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.29 101.96 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 110.347 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.924 HD23 HD23 ' A' ' 70' ' ' LEU . 30.1 tp -73.85 -58.15 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' HB3' ' OE1' ' A' ' 47' ' ' GLU . . . -148.51 -175.71 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.65 -150.87 25.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -138.83 118.85 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.96 -156.38 17.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.04 128.1 11.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.2 OUTLIER -37.39 -50.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.3 m -127.71 168.55 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.523 HG11 ' HE2' ' A' ' 124' ' ' PHE . 58.6 t -144.01 124.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.3 p -92.73 162.29 29.58 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.876 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.98 -7.23 18.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -23.69 24.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.743 ' SD ' HD21 ' A' ' 130' ' ' LEU . 7.2 mtm -89.46 -13.7 36.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 93' ' ' PRO . 11.1 p -70.97 124.44 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -82.84 -59.85 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.75 142.79 13.69 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.825 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.2 pt -113.6 151.57 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 2.9 m-85 -145.63 160.22 42.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.569 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -109.6 -176.53 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 23.9 t80 -134.57 111.59 10.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.575 ' ND2' ' HE ' ' A' ' 108' ' ' ARG . 1.5 m-80 -79.6 101.48 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.242 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.37 3.15 22.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.84 -40.64 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -94.84 -4.15 47.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.1 mttm 50.93 46.65 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.575 ' HE ' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -142.96 171.63 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -110.29 138.41 46.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.4 m -129.22 158.68 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.345 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 5.2 tt0 -94.15 159.19 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.658 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.6 mm -101.14 141.76 23.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.98 -5.61 17.02 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.825 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -110.43 154.94 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.603 ' O ' HD13 ' A' ' 99' ' ' ILE . 24.2 m -110.34 170.34 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.38 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.508 ' SD ' HD22 ' A' ' 73' ' ' LEU . 17.1 mmt -64.09 170.28 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t 169.5 150.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.468 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -63.08 -11.27 18.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 111.04 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -93.2 30.55 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 112' ' ' ILE . 87.2 t -126.07 136.89 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.4 OUTLIER -137.13 17.73 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.24 141.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.2 p90 -152.36 155.2 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.702 HG22 ' HB2' ' A' ' 60' ' ' PHE . 44.1 p -132.05 111.53 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.626 HD12 HD23 ' A' ' 130' ' ' LEU . 21.8 pt -60.72 171.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.454 ' NE2' ' CE1' ' A' ' 129' ' ' HIS . 29.9 mt-30 -53.26 -179.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -99.96 -32.93 5.42 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.516 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 3.5 p-80 -66.12 -16.97 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.593 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.743 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.2 OUTLIER -62.6 -55.37 27.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLN . 66.7 m95 -60.61 -44.34 96.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.42 ' O ' ' CB ' ' A' ' 133' ' ' SER . 0.1 OUTLIER -37.67 -67.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 132' ' ' GLN . 0.4 OUTLIER 165.6 -29.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -45.8 150.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 144.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.5 p -131.25 48.38 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 175.79 79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 m -165.36 90.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.1 t -108.0 -55.27 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.6 113.24 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.28 123.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.18 151.89 24.04 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 p -164.65 169.43 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 169.8 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.32 110.58 0.52 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 154.84 42.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -146.51 157.43 43.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -143.18 133.09 24.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.19 170.93 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 156.11 2.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.13 152.29 46.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' SER . 18.2 Cg_endo -74.94 -172.43 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' PRO . 1.4 m 38.78 59.31 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.92 175.5 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -158.59 141.95 14.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.0 p -121.37 133.42 55.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -107.28 17.16 23.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.709 ' HE2' HG22 ' A' ' 48' ' ' ILE . 11.9 ttmt -58.21 -47.66 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -61.52 -24.48 66.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.63 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 77.5 mt -78.64 -25.59 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 HD11 ' A' ' 58' ' ' ILE . 19.4 mm -81.85 -48.37 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.51 -36.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' HIS . 18.7 m-20 -80.62 -39.15 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -54.32 -30.93 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 HD12 ' A' ' 32' ' ' LEU . 19.8 mt -74.03 -51.17 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -76.05 -0.7 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -83.02 -48.33 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.583 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.696 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.7 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' CYS . 88.6 m -40.84 -36.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD12 HD22 ' A' ' 27' ' ' LEU . 60.5 mt -150.47 40.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.696 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.88 129.21 45.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.6 -178.26 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.91 -39.2 12.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.3 m -55.13 -39.54 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 39.9 m-20 -99.61 33.98 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.664 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.9 tt0 -78.71 -41.42 1.77 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -71.58 -56.33 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.5 ttpt -36.86 -52.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -55.04 -50.09 69.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.2 mmt180 -52.64 -36.99 57.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -72.91 -49.91 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 27' ' ' LEU . 40.7 mt -51.87 -47.75 64.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' LYS . 1.7 mt-10 -61.22 -61.43 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' SER . 11.3 mm-40 -38.13 -45.54 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.709 HG22 ' HE2' ' A' ' 20' ' ' LYS . 15.2 mt -64.33 -51.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.7 mm-40 -61.5 -25.93 67.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.47 -32.29 20.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' GLU . 42.5 t -68.9 140.3 55.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -92.77 26.54 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 156.0 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.0 -30.29 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.537 ' ND1' HD23 ' A' ' 73' ' ' LEU . 5.7 t-160 -98.24 124.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.627 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.702 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.3 m-85 -130.09 122.68 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.039 HD13 HD21 ' A' ' 80' ' ' LEU . 4.7 mp -102.63 150.7 23.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 9.8 mt -109.63 123.18 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' CH2' ' A' ' 131' ' ' TRP . 21.9 tp -84.74 132.1 34.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 52.6 m-85 -117.47 -177.36 3.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -93.82 -43.58 8.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -121.66 -65.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 92.4 p -174.93 115.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.515 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 46.1 m 39.39 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.12 -76.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -127.55 157.86 39.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' CD1' HD21 ' A' ' 32' ' ' LEU . 28.1 t80 -82.67 126.88 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.14 -49.41 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -168.28 145.48 4.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 83' ' ' LEU . 16.9 tp -88.98 147.07 24.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 81' ' ' SER . 20.5 m-85 -139.87 148.45 42.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.4 p -108.31 127.43 53.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD23 ' ND1' ' A' ' 55' ' ' HIS . 19.9 tp -80.15 130.97 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -82.18 124.56 30.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.11 -12.39 75.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.558 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -85.05 -30.73 23.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.744 . . . . 0.0 110.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.558 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.4 p -135.3 -148.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -128.93 4.4 5.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -76.24 163.82 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.039 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -123.6 128.59 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.0 t -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -78.45 98.73 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.936 HD23 HD23 ' A' ' 70' ' ' LEU . 31.0 tp -66.8 -63.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.19 172.52 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.48 -134.67 12.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -155.06 119.52 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.32 -153.12 17.19 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.97 126.49 10.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' PRO . 50.3 ttt180 -36.89 -45.52 0.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.6 m -139.6 164.32 30.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.98 158.14 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 p -132.18 167.9 20.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.0 -7.05 18.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.72 -8.19 52.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 4.3 mtm -111.79 -22.89 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.8 p -67.31 126.37 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -82.38 -53.13 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.47 145.41 15.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.093 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.86 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -111.66 157.06 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.78 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.3 m-85 -149.78 154.9 39.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.13 -176.93 3.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 7.7 t80 -126.74 106.58 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.6 101.33 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.23 2.05 22.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.77 -23.96 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 107' ' ' LYS . 8.1 mtt-85 -96.15 -24.88 16.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER 81.64 34.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -169.02 179.81 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.258 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -99.67 168.43 9.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -141.01 165.49 27.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -94.7 148.18 22.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.702 HG13 HG22 ' A' ' 121' ' ' VAL . 2.5 mm -93.93 141.59 23.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.98 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.86 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.93 156.5 22.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 5.19 44.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.46 ' O ' HD13 ' A' ' 99' ' ' ILE . 83.7 m -113.19 163.74 14.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.495 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.73 163.36 9.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.5 t 179.45 145.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -22.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.489 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -88.43 41.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.702 HG22 HG13 ' A' ' 112' ' ' ILE . 41.6 t -136.44 141.93 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -148.56 25.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.78 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -179.46 140.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.3 p90 -155.69 166.32 33.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 p -145.03 130.13 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 22.9 pt -81.53 159.31 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.53 159.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.71 -46.03 10.14 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 2.4 p-80 -47.64 -39.36 16.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 0.723 . . . . 0.0 109.558 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 129' ' ' HIS . 41.7 mt -53.58 -55.59 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.519 ' CH2' HD21 ' A' ' 59' ' ' LEU . 73.0 m95 -51.25 -61.32 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.016 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -42.52 -53.75 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.74 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.063 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -173.08 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.01 122.27 5.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -96.11 166.99 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -174.0 96.64 0.11 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.44 1.087 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.16 6.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.3 t -173.6 176.16 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.89 156.77 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -101.1 158.59 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 163.91 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.32 109.69 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -171.3 171.19 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.968 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.4 m -46.55 167.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.82 98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.85 24.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 66.32 179.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -81.66 -167.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -74.77 159.53 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.96 151.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -80.68 153.73 73.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.43 -134.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.76 133.87 55.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 116.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.7 p -138.71 148.11 43.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -130.62 46.0 2.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 48' ' ' ILE . 16.6 ttmt -81.46 -51.15 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.31 -23.33 66.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 60.6 mt -75.6 -27.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.585 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -88.52 -46.56 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.477 ' HD2' HG21 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -39.96 -46.37 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' HIS . 15.6 m-20 -70.93 -48.4 53.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -45.79 -35.04 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.25 -51.41 37.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -74.79 -1.69 23.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 3.0 m170 -82.49 -48.46 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -177.54 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' CYS . 18.6 m -40.06 -37.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD11 ' CE2' ' A' ' 67' ' ' PHE . 61.3 mt -149.45 43.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -110.21 128.94 55.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.99 -170.29 29.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.64 -37.69 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.8 -43.86 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.2 m-20 -93.8 30.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.661 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 11.0 tt0 -78.59 -41.26 1.81 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.661 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.95 -41.24 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.6 tt0 -70.28 -54.45 12.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.9 ttpt -37.51 -53.56 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -54.74 -52.11 63.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.0 mmt85 -50.54 -40.85 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.702 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.1 mm -68.81 -55.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.0 mt -43.61 -47.11 7.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.3 mm-40 -64.58 -62.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' SER . 20.9 mm-40 -40.78 -46.78 2.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.557 HD11 HG22 ' A' ' 44' ' ' ILE . 57.7 mt -62.09 -44.23 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mm-40 -72.18 -16.42 61.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.39 -20.18 18.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.1 t -83.81 132.82 34.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.35 156.46 20.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -114.19 -3.42 13.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.052 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -124.46 125.09 43.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CE1' HG22 ' A' ' 72' ' ' THR . 96.1 m-85 -137.22 124.11 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -110.86 165.14 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 HD12 ' A' ' 23' ' ' ILE . 4.5 mt -113.44 131.26 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.4 tp -99.91 110.54 22.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 64' ' ' SER . 58.4 m-85 -91.38 177.69 6.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -33.88 61.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -150.05 -53.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.87 ' HA ' HG21 ' A' ' 125' ' ' THR . 14.4 m -166.95 112.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 78.4 p 40.18 48.71 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.38 -87.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -138.56 135.61 35.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 32' ' ' LEU . 5.3 t80 -51.07 138.3 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -119.69 -42.1 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.52 139.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 83' ' ' LEU . 12.3 tp -85.63 153.33 22.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.53 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 39.8 m-85 -147.14 149.63 33.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 56' ' ' PHE . 1.4 p -107.82 128.88 55.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.052 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.4 tp -82.86 136.92 34.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.647 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.3 m -82.76 119.05 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.11 -13.09 72.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.576 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.8 OUTLIER -82.35 -30.74 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.576 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.0 p -132.76 -147.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 29.9 mt-10 -122.67 -1.45 8.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.58 ' O ' HD12 ' A' ' 73' ' ' LEU . 4.2 mp0 -83.71 165.19 19.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -113.03 -170.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 t -151.28 133.82 15.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.054 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 8.9 ttt180 -68.22 99.51 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.078 HD23 HD23 ' A' ' 70' ' ' LEU . 67.3 tp -73.34 -62.76 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.72 165.35 29.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.43 -156.31 19.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -132.47 118.71 19.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.75 -156.55 17.37 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.01 128.79 11.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.2 ttt180 -37.34 -49.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 91' ' ' VAL . 1.9 m -130.7 168.22 17.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.451 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.71 HG11 ' HE2' ' A' ' 124' ' ' PHE . 82.7 t -142.13 136.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 60.7 p -111.2 162.74 19.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -7.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.81 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.78 -17.23 34.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.484 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 6.0 mtm -96.64 -26.12 15.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 93' ' ' PRO . 8.4 p -60.37 132.03 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.2 -46.72 8.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.63 143.69 11.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.717 HD13 ' O ' ' A' ' 116' ' ' THR . 2.3 pt -111.64 152.53 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.762 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 10.8 m-85 -143.63 156.75 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -110.0 176.69 4.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 20.8 t80 -121.67 113.85 20.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.74 101.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 5.82 21.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -112.87 -39.63 4.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.58 -12.74 17.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 mttt 67.19 28.15 8.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 5.4 mmm180 -114.12 -173.3 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.41 140.07 53.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.8 m -131.21 164.27 25.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -98.61 157.76 16.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 101' ' ' LYS . 1.8 mm -100.35 141.42 22.67 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.611 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.02 -5.71 17.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.657 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.67 162.73 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.11 5.2 19.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.717 ' O ' HD13 ' A' ' 99' ' ' ILE . 71.7 m -103.46 172.0 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.461 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -76.85 161.75 28.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t 177.66 158.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.442 ' HE3' ' ND1' ' A' ' 55' ' ' HIS . 2.4 mmt -66.56 -8.48 27.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.13 10.48 26.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.45 HG22 HG13 ' A' ' 112' ' ' ILE . 69.5 t -110.47 129.45 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.93 8.71 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -164.24 161.0 21.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.71 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -171.22 154.75 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.87 HG21 ' HA ' ' A' ' 63' ' ' SER . 34.3 p -134.89 123.95 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 42.2 pt -74.75 161.06 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.414 ' N ' HD12 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -44.53 161.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.77 -43.51 14.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -52.99 -27.81 20.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.571 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 53.6 mt -67.46 -34.7 77.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -78.81 -51.44 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 1.6 pt20 -102.16 77.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.94 -175.98 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.14 35.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -153.82 -72.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.47 124.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.76 104.48 0.47 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.16 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.99 138.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.4 152.76 45.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 p -167.91 139.7 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t 63.31 144.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.62 140.15 3.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t -84.25 85.16 7.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 73.21 -164.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.29 80.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.85 3.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -98.46 97.95 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.12 17.53 12.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -99.93 89.11 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.89 150.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -95.97 154.44 38.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.25 18.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.47 44.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.8 104.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 40.68 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.9 p -46.12 154.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' CB ' HD12 ' A' ' 22' ' ' ILE . 16.8 p-10 -128.54 34.55 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.583 1.177 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' CD ' HG22 ' A' ' 48' ' ' ILE . 20.7 ttpp -65.92 -51.59 57.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -59.96 -28.06 67.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' CB ' ' A' ' 19' ' ' ASN . 69.1 mt -70.97 -24.61 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ALA . 18.0 mm -86.62 -52.96 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -40.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' HIS . 27.0 m-80 -75.78 -42.06 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -56.74 -33.4 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HD12 ' A' ' 32' ' ' LEU . 38.5 mt -73.34 -49.65 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -0.26 22.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -84.53 -48.28 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.821 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.47 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 108.301 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' CYS . 93.1 m -41.03 -34.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.261 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.855 HD12 HD22 ' A' ' 27' ' ' LEU . 38.1 mt -149.69 31.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.821 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.79 128.0 42.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.29 176.93 19.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.2 -36.25 40.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -23.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.0 m-20 -107.88 17.44 22.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.669 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 13.3 tt0 -78.83 -41.26 1.7 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.05 -39.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' ARG . 0.9 OUTLIER -71.84 -55.76 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.8 ttpp -37.13 -56.99 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -50.49 -48.0 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.0 mmt180 -59.38 -22.51 61.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.561 HG22 HD11 ' A' ' 48' ' ' ILE . 5.4 mm -87.07 -56.53 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.3 OUTLIER -52.77 -40.97 63.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -66.64 -37.92 85.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' SER . 30.1 mm-40 -71.47 -48.57 48.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.698 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 67.2 mt -53.24 -37.47 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -75.85 -49.58 17.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -25.16 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.6 p -83.24 138.28 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 10.0 16.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' CE1' ' A' ' 56' ' ' PHE . . . -70.49 131.33 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -103.02 2.54 35.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.027 ' CE1' HD23 ' A' ' 73' ' ' LEU . 18.2 t-160 -142.26 112.35 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.63 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.698 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 83.4 m-85 -115.62 169.31 9.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 3.7 mp -149.95 156.27 41.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 67' ' ' PHE . 8.1 mt -104.62 110.37 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 71' ' ' TYR . 57.3 tp -76.13 108.0 8.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.872 ' HB2' HG22 ' A' ' 125' ' ' THR . 7.8 m-85 -82.32 158.4 23.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -14.11 56.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 63' ' ' SER . 15.2 t0 -179.9 -60.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 62' ' ' ASP . 1.8 t 162.13 79.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.66 43.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 23.0 m 42.9 57.38 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -128.04 69.27 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CD1' HD21 ' A' ' 32' ' ' LEU . 29.9 t80 -40.4 129.19 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -109.84 -21.09 12.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 174.87 157.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.064 HD12 HD23 ' A' ' 83' ' ' LEU . 3.2 tm? -104.08 137.16 42.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE1' HD22 ' A' ' 59' ' ' LEU . 14.7 m-85 -130.76 165.85 22.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' CD2' ' A' ' 56' ' ' PHE . 3.0 p -121.08 137.82 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.027 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.4 tp -91.98 136.22 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 73' ' ' LEU . 34.4 m -82.97 121.95 27.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.11 69.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.58 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -83.56 -30.83 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.58 HG23 ' CG ' ' A' ' 76' ' ' GLU . 44.1 p -133.52 -148.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' LEU . 38.1 mt-10 -126.82 2.45 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.24 156.75 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 2.1 mt -114.28 134.29 55.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 t -99.99 144.4 29.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 89' ' ' ARG . 4.9 ttt-85 -78.96 106.21 10.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.064 HD23 HD12 ' A' ' 70' ' ' LEU . 30.6 tp -78.56 -60.68 2.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -150.69 166.53 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.06 -156.23 19.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -126.03 132.1 52.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.72 -161.88 33.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 131.67 14.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 7.1 ttt180 -38.57 -49.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 80' ' ' LEU . 97.8 m -133.01 159.36 40.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.661 HG11 ' HE2' ' A' ' 124' ' ' PHE . 20.1 t -133.0 139.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 96' ' ' VAL . 3.4 p -107.57 166.23 11.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.47 20.04 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 130' ' ' LEU . 12.5 mtm -91.46 -26.1 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 92' ' ' THR . 55.8 t -59.67 115.71 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' THR . 29.9 tt0 -74.42 -41.59 60.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.69 156.79 27.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.5 pt -123.4 149.57 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.588 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.4 m-85 -144.62 156.12 43.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.01 -163.07 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 25.6 t80 -149.06 111.23 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.04 101.37 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 9.98 13.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.0 -40.75 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -93.23 -13.23 28.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 65.8 33.56 8.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -126.02 -174.87 3.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -126.78 147.96 49.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.0 m -138.16 158.68 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 21.6 tt0 -101.24 153.9 19.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.735 HG13 HG22 ' A' ' 121' ' ' VAL . 2.2 mm -95.48 141.69 23.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -17.79 19.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.76 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -94.57 157.73 15.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -104.63 2.11 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.663 ' O ' HD13 ' A' ' 99' ' ' ILE . 92.8 m -104.43 166.36 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.45 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.9 mmt -67.99 168.24 12.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.73 151.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.424 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.64 -11.58 17.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 111.003 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -91.75 26.04 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.735 HG22 HG13 ' A' ' 112' ' ' ILE . 86.9 t -122.48 144.32 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.07 18.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.588 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -176.52 144.6 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.661 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.7 p90 -156.86 156.4 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.872 HG22 ' HB2' ' A' ' 60' ' ' PHE . 37.5 p -126.77 139.08 53.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 25.8 pt -89.11 158.01 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.73 158.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -77.5 -46.48 9.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 130' ' ' LEU . 1.6 p-80 -48.02 -40.5 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 95' ' ' MET . 46.3 mt -50.06 -55.1 16.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -54.16 -54.11 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -40.44 -71.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.2 p -66.36 134.29 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 32.81 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.08 172.91 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 t 64.83 152.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -103.29 -132.13 7.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.4 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 144.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -56.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.45 145.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.89 -59.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.53 -117.31 7.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t 43.24 80.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 151.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.942 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 141.74 12.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.67 5.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 mtm-85 60.05 154.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.39 136.65 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.83 168.51 25.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -155.86 142.79 18.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -44.92 153.37 0.5 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -177.7 3.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.06 120.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.07 169.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -151.01 124.37 8.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.2 t 60.64 148.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.587 ' CB ' HD12 ' A' ' 22' ' ' ILE . 2.2 p-10 -146.24 45.37 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' CE2' ' A' ' 56' ' ' PHE . 11.6 ttmt -71.7 -52.13 19.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -60.61 -23.09 64.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.657 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 58.6 mt -75.91 -25.77 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.56 HG21 HD11 ' A' ' 70' ' ' LEU . 17.2 mm -84.23 -45.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 28.9 t-80 -39.9 -43.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.2 m-80 -79.0 -46.6 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -42.4 -29.66 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 22.9 mt -74.34 -52.71 11.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m -74.92 -1.93 24.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.3 m170 -82.01 -49.01 10.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.586 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.801 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 2.6 t 179.32 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 61.5 m -40.58 -45.86 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 HD22 ' A' ' 27' ' ' LEU . 16.3 mt -138.23 33.43 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.801 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.89 127.08 39.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . 145.28 139.39 3.4 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -45.64 -51.41 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 m -50.23 -33.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 74.8 m-20 -99.87 27.94 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 26.6 tt0 -80.32 -41.07 1.3 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.99 -47.14 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.8 tt0 -63.18 -55.09 27.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 45' ' ' LEU . 6.6 ttpp -38.8 -56.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -51.42 -47.7 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLN . 7.1 mtt180 -56.1 -31.32 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.512 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm -73.6 -54.58 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -45.87 -51.04 13.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.1 mt-10 -56.59 -64.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 84' ' ' ALA . 33.6 mm-40 -39.05 -49.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.619 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 62.6 mt -61.37 -47.19 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mt-10 -63.09 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -30.93 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.3 t -71.89 134.6 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.62 22.5 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.52 152.87 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.45 1.34 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.158 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.7 t-160 -117.74 126.87 53.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 98.8 m-85 -142.53 122.96 13.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 80' ' ' LEU . 4.2 mp -107.82 170.32 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 47.8 mt -120.2 125.22 73.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 18.1 tp -87.8 127.71 35.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.713 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 44.4 m-85 -119.65 168.67 10.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -82.51 -34.48 27.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' HG21 ' A' ' 125' ' ' THR . 5.2 t70 -133.48 -59.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 125' ' ' THR . 55.1 p 176.78 121.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.502 ' HA ' ' CE2' ' A' ' 60' ' ' PHE . 23.0 t 38.95 42.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.5 t -98.23 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -147.08 136.18 22.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 5.0 t80 -56.01 133.57 51.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 59' ' ' LEU . 1.3 mmm180 -112.58 -40.35 4.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.37 137.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 83' ' ' LEU . 1.3 tp -85.68 151.62 23.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.547 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 29.4 m-85 -143.65 158.91 43.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.407 HG23 HD22 ' A' ' 83' ' ' LEU . 1.2 p -114.1 127.03 55.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.158 HD23 ' CE1' ' A' ' 55' ' ' HIS . 14.3 tp -83.29 133.92 34.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -82.34 123.0 28.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.92 -19.76 78.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.6 -30.64 64.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.1 p -136.18 -146.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.04 -3.45 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.6 mp0 -81.31 161.5 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 57' ' ' LEU . 1.3 mp -110.94 -169.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.1 t -152.22 134.22 14.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 1.7 ttt-85 -67.16 100.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.923 HD23 HD23 ' A' ' 70' ' ' LEU . 53.5 tp -74.45 -62.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.419 ' HB2' ' HG3' ' A' ' 47' ' ' GLU . . . -148.94 167.14 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.1 -115.09 4.36 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 73.0 t80 179.42 114.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.18 -149.87 7.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 88' ' ' PRO . 76.3 ttt180 -36.74 -41.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.4 m -140.26 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 90' ' ' THR . 44.8 t -138.63 150.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 p -124.12 163.88 33.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.728 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.04 -7.36 19.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.59 -23.38 24.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.653 ' SD ' HD21 ' A' ' 130' ' ' LEU . 4.8 mtm -92.18 -18.16 23.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.9 p -68.03 127.4 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -89.66 -59.85 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -131.98 146.6 18.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.779 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.7 pt -121.25 144.64 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 0.797 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 37.3 m-85 -137.42 165.77 25.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -117.22 -176.74 3.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.657 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 6.0 t80 -124.71 113.76 18.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.21 98.1 6.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.01 9.2 15.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -113.77 -35.08 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.62 -10.99 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.3 mttp 66.85 28.57 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.07 -173.17 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 0.8 OUTLIER -125.06 139.83 53.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.0 m -125.03 160.58 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.91 153.28 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 101' ' ' LYS . 2.0 mm -96.01 141.15 22.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.575 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -4.03 14.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.779 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.64 4.54 18.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.692 ' O ' HD13 ' A' ' 99' ' ' ILE . 53.6 m -108.17 172.09 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.501 ' N ' HG22 ' A' ' 116' ' ' THR . 14.7 mmt -69.97 165.27 22.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.441 ' OG ' HG23 ' A' ' 121' ' ' VAL . 24.4 p -178.34 168.82 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.564 ' HE3' ' CE1' ' A' ' 55' ' ' HIS . 3.6 mmt -88.68 29.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.23 10.58 3.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' OG ' ' A' ' 118' ' ' SER . 21.3 t -102.63 133.84 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -126.18 4.31 7.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.713 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -165.36 143.68 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.5 p90 -152.15 157.93 42.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 62' ' ' ASP . 8.8 p -135.18 113.59 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.734 HD12 HD23 ' A' ' 130' ' ' LEU . 17.7 pt -64.88 172.52 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 95' ' ' MET . 64.2 mt-30 -55.11 -176.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.92 -43.99 1.99 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.448 ' CD2' HD13 ' A' ' 130' ' ' LEU . 6.6 p-80 -52.83 -20.75 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.572 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -57.05 -66.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -50.97 -51.92 47.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.99 -51.36 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.58 169.11 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -121.54 126.23 48.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 49.0 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.45 -51.22 59.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 150.21 146.06 4.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 140' ' ' SER . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.97 -75.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 138' ' ' PRO . 17.0 t 64.96 82.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.92 135.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -42.65 -57.61 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.87 55.89 0.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 m -158.61 73.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.7 147.03 32.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.956 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.83 146.74 1.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 81.84 2.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.02 150.71 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.44 16.48 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -80.39 140.82 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.18 132.79 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.56 152.54 0.28 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.356 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -179.25 4.81 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 m -152.73 126.68 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.19 101.15 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.17 32.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.01 128.83 3.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 22' ' ' ILE . 14.3 p-10 -121.04 43.34 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.816 ' HD2' HG22 ' A' ' 48' ' ' ILE . 9.1 ttpp -82.79 -48.28 10.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -63.6 -25.87 68.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 44.9 mt -72.21 -23.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 58' ' ' ILE . 18.4 mm -86.69 -45.88 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -46.38 -34.27 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.552 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 21.8 m-20 -83.63 -35.58 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.19 -31.44 67.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD12 HD12 ' A' ' 45' ' ' LEU . 20.0 mt -74.07 -53.22 10.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.617 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -74.63 -2.24 25.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.9 m170 -81.04 -47.25 13.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.649 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 179.08 -38.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 67' ' ' PHE . 71.1 m -40.91 -47.39 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.279 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD11 ' CE1' ' A' ' 67' ' ' PHE . 16.4 mt -139.41 28.94 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -93.03 129.55 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.54 -172.45 30.29 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 7.2 tmtt? -88.63 -53.86 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 0.728 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.53 -35.03 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 72.0 m-20 -96.52 24.91 5.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 17.5 tt0 -78.93 -41.33 1.66 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.0 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -72.41 -54.91 8.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 7.5 ttpp -39.51 -52.18 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 17.5 m-80 -54.08 -45.94 71.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' GLN . 9.4 mmt180 -59.5 -38.93 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG13 HD13 ' A' ' 32' ' ' LEU . 5.3 mm -69.41 -59.84 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -42.89 -47.48 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.6 mm-40 -59.19 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 51' ' ' SER . 57.1 mm-40 -38.76 -46.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.816 HG22 ' HD2' ' A' ' 20' ' ' LYS . 60.5 mt -61.21 -51.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 38.5 mt-10 -65.73 -22.49 66.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.65 -17.12 26.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 21.4 t -82.58 139.4 33.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.52 26.0 2.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.29 156.84 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -116.0 -7.75 11.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 73' ' ' LEU . 3.6 t-160 -118.62 126.56 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' ILE . 19.8 m-85 -138.77 121.93 16.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 80' ' ' LEU . 6.3 mp -103.13 158.99 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 23' ' ' ILE . 37.9 mt -109.68 119.81 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.935 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 16.6 tp -90.17 128.34 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.644 ' HB2' HG22 ' A' ' 125' ' ' THR . 95.7 m-85 -113.59 162.97 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 65' ' ' CYS . 3.7 tpt180 -54.47 -46.05 73.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -50.73 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 114.29 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 42.22 39.88 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 61' ' ' ARG . 1.3 m -101.38 65.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 65' ' ' CYS . 1.5 mp0 52.06 173.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.708 ' CE1' HD11 ' A' ' 32' ' ' LEU . 43.9 t80 -75.24 148.18 39.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -128.62 -43.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -170.63 137.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 83' ' ' LEU . 12.2 tp -89.0 151.05 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 31.7 m-85 -145.74 151.09 37.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.3 p -111.68 126.5 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 74' ' ' SER . 9.4 tp -74.76 133.65 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.653 ' N ' HD12 ' A' ' 73' ' ' LEU . 23.0 m -87.25 121.74 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.93 -15.32 66.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.1 pm0 -78.07 -30.84 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.504 HG23 ' CG ' ' A' ' 76' ' ' GLU . 28.2 p -139.33 -146.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.0 2.74 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.77 161.77 28.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.83 ' CD2' HD13 ' A' ' 57' ' ' LEU . 1.4 mt -125.15 128.15 47.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -92.64 148.73 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt180 -79.8 98.93 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.98 HD23 HD23 ' A' ' 70' ' ' LEU . 39.9 tp -68.07 -58.68 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -152.81 145.57 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.25 -140.86 10.31 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -152.58 20.91 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.769 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.55 -153.73 25.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -74.99 130.53 13.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.3 ttt180 -37.42 -50.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.2 m -132.17 162.44 30.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG11 ' HE2' ' A' ' 124' ' ' PHE . 41.7 t -134.43 145.87 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 40.4 p -120.97 164.06 25.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.428 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.99 -7.27 19.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.61 -18.69 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.435 ' HE3' HD13 ' A' ' 130' ' ' LEU . 4.5 mtm -99.6 -23.91 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 93' ' ' PRO . 5.0 p -64.54 139.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -94.21 -47.93 6.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -151.48 158.0 27.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.785 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -122.61 149.68 26.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.425 0.72 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.649 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 8.8 m-85 -145.21 150.55 36.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -93.25 -164.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.689 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 24.5 t80 -144.36 111.69 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -72.59 99.66 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.51 4.13 29.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.86 -39.05 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.24 -9.46 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 60.75 39.13 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -135.24 -174.38 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.52 143.61 51.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LYS . 88.9 m -132.23 155.89 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.425 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 27.5 tt0 -92.29 155.08 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.833 HG13 HG22 ' A' ' 121' ' ' VAL . 1.8 mm -98.72 142.05 23.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.09 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.785 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.7 152.84 25.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 3.19 35.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.517 ' O ' HD13 ' A' ' 99' ' ' ILE . 91.7 m -107.05 168.54 9.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.1 155.48 39.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -175.96 152.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.455 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 2.3 mmt -61.4 -12.65 15.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.7 m -91.5 26.38 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.833 HG22 HG13 ' A' ' 112' ' ' ILE . 83.6 t -124.26 139.78 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 1.9 m-20 -140.7 15.15 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.649 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.59 151.31 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.935 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -161.48 151.1 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 60' ' ' PHE . 40.7 p -131.86 131.04 42.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.743 ' HB ' HD12 ' A' ' 130' ' ' LEU . 24.9 pt -82.42 161.06 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.584 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -48.52 178.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . -90.81 -58.16 1.54 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.595 ' CE1' HD21 ' A' ' 130' ' ' LEU . 7.5 p80 -38.16 -31.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.595 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.743 HD12 ' HB ' ' A' ' 126' ' ' ILE . 9.9 mt -58.8 -62.25 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -48.72 -62.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.046 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -52.65 160.89 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.48 160.48 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.9 tptm 66.97 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 76.07 145.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -162.99 -54.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 127.3 164.43 11.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.17 21.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.7 m -130.62 143.11 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.8 p -147.93 143.52 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 p -145.11 -59.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 110.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -120.06 -58.69 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.62 -171.73 16.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -137.52 -53.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m 61.83 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.62 153.79 23.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.2 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 1.3 mpt_? -104.04 -168.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -140.82 139.02 34.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -116.03 139.7 50.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -174.67 137.25 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.81 153.62 0.16 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.27 18.65 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.89 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.21 113.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -135.82 18.51 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB2' ' CB ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -140.48 -158.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.602 ' CB ' HD12 ' A' ' 22' ' ' ILE . 3.9 p-10 -98.67 57.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HD3' ' CE2' ' A' ' 56' ' ' PHE . 10.4 ttpp -80.77 -51.59 8.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.85 -17.86 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 19' ' ' ASN . 46.5 mt -80.94 -24.05 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 58' ' ' ILE . 12.8 mm -85.06 -42.32 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.81 ' CD2' HD12 ' A' ' 45' ' ' LEU . 17.1 t-80 -45.31 -40.55 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.632 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.9 m-20 -80.52 -32.86 36.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -59.81 -37.07 78.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' LEU . 20.4 mt -70.85 -50.5 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.54 -0.31 22.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.2 m170 -83.15 -48.2 10.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.578 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -170.95 -42.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' SG ' HG21 ' A' ' 58' ' ' ILE . 1.4 m -40.22 -41.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 49.6 mt -146.63 55.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.65 127.04 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.0 164.1 9.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -74.0 -37.76 64.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 m -56.79 -33.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -104.2 31.34 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.5 tt0 -78.35 -40.93 1.88 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.96 -40.16 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 41' ' ' LYS . 2.7 tt0 -69.52 -56.9 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.9 ttpt -36.04 -62.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 48.8 m-80 -49.81 -48.07 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.6 mmt85 -57.51 -20.46 31.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 44' ' ' ILE . 5.7 mm -87.13 -45.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' CD2' ' A' ' 24' ' ' HIS . 3.3 mm? -55.34 -48.69 73.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 11.3 pt-20 -57.39 -41.87 81.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' CD ' ' HB2' ' A' ' 84' ' ' ALA . 22.0 mm-40 -56.78 -47.92 79.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.819 HG12 HD21 ' A' ' 70' ' ' LEU . 18.8 mt -59.85 -39.18 79.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.96 -41.1 64.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -21.5 64.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.423 ' OG ' HG21 ' A' ' 72' ' ' THR . 11.5 t -75.22 139.64 42.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.36 24.23 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.53 159.45 25.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 18' ' ' SER . 81.5 m-20 -107.63 -26.02 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.986 ' CE1' HD23 ' A' ' 73' ' ' LEU . 4.2 t-160 -84.29 129.39 34.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CD1' HG22 ' A' ' 72' ' ' THR . 99.0 m-85 -142.1 136.03 29.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 80' ' ' LEU . 7.1 mp -122.38 158.63 29.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 23' ' ' ILE . 8.3 mt -107.71 134.5 49.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 26.4 tp -97.37 123.71 41.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.717 ' HB2' HG22 ' A' ' 125' ' ' THR . 31.5 m-85 -104.85 178.67 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.17 -30.63 20.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.89 -49.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.677 ' HA ' HG21 ' A' ' 125' ' ' THR . 13.4 m -174.99 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.0 p -85.64 61.39 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.7 t -119.01 -134.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 108.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' PHE . 22.9 mt-30 -136.61 145.3 44.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.9 t80 -37.22 138.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.5 mmm180 -115.91 -37.55 3.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -168.5 152.65 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.819 HD21 HG12 ' A' ' 48' ' ' ILE . 35.4 tp -94.35 155.65 16.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 47.2 m-85 -153.38 152.39 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.8 p -113.11 131.02 55.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.986 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.7 tp -81.1 132.47 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.777 ' N ' HD12 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -79.12 115.11 18.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.68 -24.66 71.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -68.0 -30.25 69.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 p -139.15 -146.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.0 -3.03 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.0 mp0 -79.87 162.18 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -110.79 -171.48 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.2 t -148.11 135.81 20.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 3.6 ttt180 -67.98 100.3 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 70' ' ' LEU . 39.0 tp -72.54 -62.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 47' ' ' GLU . . . -154.16 179.82 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.357 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.04 -113.42 4.72 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -178.69 117.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 0.781 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.37 -151.51 11.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.98 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.538 1.809 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.6 ttt-85 -37.43 -44.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.1 m -133.25 169.38 16.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 90' ' ' THR . 54.8 t -141.46 142.85 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 71.8 p -116.12 162.7 24.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 92' ' ' THR . 18.0 Cg_endo -75.05 -8.29 19.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.57 -30.03 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.762 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -86.73 -23.09 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.3 t -60.46 129.25 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.35 -46.9 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -140.31 155.44 24.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.747 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -135.95 133.92 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.715 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 23.8 m-85 -121.23 165.58 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -130.22 157.61 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 12.3 t80 -97.77 117.6 32.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.69 101.08 5.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -83.62 7.56 17.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -113.13 -35.04 5.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.59 -6.75 16.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 59.24 34.1 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -126.63 -173.59 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.87 136.71 52.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.403 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 98.1 m -126.67 157.48 38.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.0 OUTLIER -104.36 141.55 36.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -88.2 137.21 31.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.424 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.02 -3.76 14.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.747 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -104.1 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -106.9 3.36 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.476 ' O ' HD13 ' A' ' 99' ' ' ILE . 95.1 m -105.03 163.28 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.36 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.455 ' SD ' HD22 ' A' ' 73' ' ' LEU . 8.6 mmt -68.79 159.51 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.18 166.48 10.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.554 ' CE ' ' CE1' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -82.14 48.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -161.38 27.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' HD21 ' A' ' 57' ' ' LEU . 63.3 t -108.9 116.59 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.53 13.11 17.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.715 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -177.66 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.7 p90 -150.62 147.84 27.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.7 p -123.6 110.86 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.885 HD12 HD23 ' A' ' 130' ' ' LEU . 35.8 pt -61.59 174.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -61.41 179.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.84 -31.46 5.7 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.529 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 17.8 p-80 -62.35 -19.88 63.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.885 HD23 HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -60.98 -65.23 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 133' ' ' SER . 69.1 m95 -49.13 -67.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -47.85 95.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -41.83 119.17 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -159.56 -63.92 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.98 165.9 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.16 138.09 6.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.66 157.33 11.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 174.43 12.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.26 -57.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.55 167.25 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p 49.8 97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -102.24 173.53 6.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -168.37 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -159.25 170.41 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.7 150.34 23.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.63 112.29 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.38 20.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.9 mmt-85 -133.77 177.08 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -153.09 138.12 17.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -164.69 111.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -148.99 140.89 23.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -43.81 152.85 0.43 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.23 8.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.29 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.65 110.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -138.21 43.39 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -39.24 148.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' A' ' 22' ' ' ILE . 18.8 p-10 -130.46 27.38 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.858 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.1 tttt -65.47 -45.03 85.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.76 -19.27 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' A' ' 102' ' ' TYR . 59.8 mt -82.43 -28.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 20.5 mm -84.69 -41.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 1.2 t-80 -49.41 -31.92 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' HIS . 35.2 m-20 -90.28 -36.6 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 23' ' ' ILE . . . -57.05 -38.29 73.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -68.48 -52.21 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.82 -1.69 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -83.13 -48.56 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.621 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.75 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.1 m -39.48 -40.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 17.4 mt -146.02 47.14 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -106.69 126.27 52.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.93 -169.97 27.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -95.98 -40.33 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.5 m -55.33 -40.54 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 46.6 m-20 -99.12 34.71 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 10.9 tt0 -79.43 -40.64 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.06 -53.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -56.08 -54.62 42.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 45' ' ' LEU . 32.6 ttpt -38.8 -57.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -57.41 -42.28 82.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 13.7 mmt180 -61.32 -20.28 62.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 48' ' ' ILE . 5.0 mm -86.75 -56.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -50.29 -44.12 53.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.7 pt-20 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 21.0 mm-40 -66.9 -47.88 70.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 74.7 mt -56.24 -42.98 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.05 -42.14 80.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -19.04 61.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HB2' HD11 ' A' ' 83' ' ' LEU . 8.6 t -85.42 138.65 32.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 18.84 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.66 148.29 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -13.81 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.915 ' CE1' HD23 ' A' ' 73' ' ' LEU . 12.2 t-160 -124.39 114.43 19.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 97.2 m-85 -115.22 168.36 10.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.897 HD13 HD21 ' A' ' 80' ' ' LEU . 3.5 mp -152.94 153.07 32.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.67 HG23 ' CD2' ' A' ' 67' ' ' PHE . 3.3 mt -104.48 130.49 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.9 tp -95.87 110.22 22.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.622 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 m-85 -92.93 177.26 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -74.03 -55.97 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.62 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -133.67 -45.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -38.81 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 67.45 41.97 2.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -110.33 118.56 36.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 11.3 t80 -46.16 126.99 8.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -113.91 -27.11 7.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.88 156.62 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.081 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -107.23 139.47 41.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 70' ' ' LEU . 17.4 m-85 -133.41 172.49 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.728 HG22 ' CD1' ' A' ' 56' ' ' PHE . 1.1 p -129.73 127.99 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.915 HD23 ' CE1' ' A' ' 55' ' ' HIS . 10.8 tp -73.86 133.42 43.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.562 ' N ' HD12 ' A' ' 73' ' ' LEU . 58.3 m -80.0 117.68 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.94 -25.26 71.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.555 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -74.86 -30.91 61.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 110.3 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.555 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.3 p -134.2 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -128.64 3.93 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.65 161.11 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.897 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -120.09 131.37 55.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.2 t -95.95 146.13 24.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -76.4 102.76 6.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.081 HD23 HD12 ' A' ' 70' ' ' LEU . 48.3 tp -71.05 -61.99 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.05 163.82 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.357 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.73 -130.38 9.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -160.81 122.85 3.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 169.97 -150.12 14.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 126.27 9.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.808 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 10.0 ttt180 -37.12 -43.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 2.6 m -141.23 168.99 18.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 90' ' ' THR . 67.1 t -137.65 143.75 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.2 p -118.0 164.92 17.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -6.03 17.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.11 -14.43 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.772 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.1 mtm -103.76 -24.8 13.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.5 p -65.27 125.57 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -89.09 -57.97 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.63 151.07 18.83 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.1 pt -128.0 157.43 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 3.3 m-85 -149.68 158.68 44.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -115.62 -179.09 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.664 ' CD1' HG23 ' A' ' 22' ' ' ILE . 11.9 t80 -118.93 116.62 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.98 101.68 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.18 8.94 16.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.83 -41.09 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -96.34 -12.68 24.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt 63.32 39.75 9.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -134.54 -170.36 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.59 143.94 44.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.407 ' HB ' ' HD3' ' A' ' 101' ' ' LYS . 41.9 m -134.8 159.01 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 3.8 tt0 -96.05 161.09 14.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.655 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.5 mm -102.11 141.94 23.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -74.96 -5.45 16.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.847 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -114.9 161.06 18.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -104.3 5.32 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.527 ' O ' HD13 ' A' ' 99' ' ' ILE . 45.8 m -108.05 165.12 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.421 ' HE3' ' CG2' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -65.62 172.2 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m 168.44 147.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.487 ' HA ' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -51.44 -19.91 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.958 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.7 m -89.09 40.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.612 ' CG1' HD21 ' A' ' 57' ' ' LEU . 51.4 t -134.47 143.86 36.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.9 OUTLIER -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.622 ' HB1' ' HE2' ' A' ' 60' ' ' PHE . . . -179.39 149.73 0.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -157.9 158.31 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 60' ' ' PHE . 17.3 p -135.72 109.21 7.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.648 HD12 HD23 ' A' ' 130' ' ' LEU . 47.0 pt -59.34 167.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -54.78 177.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.45 -28.06 8.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.573 1.17 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 130' ' ' LEU . 22.7 p-80 -66.25 -20.32 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.57 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.772 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.0 OUTLIER -59.65 -66.45 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -50.2 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 108.011 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.49 67.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 156.07 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.55 -48.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.7 120.02 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.6 p -151.44 115.24 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.61 78.07 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.69 -66.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.2 m -89.84 124.57 34.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.96 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.56 119.85 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -162.53 162.21 27.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.96 -179.52 40.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -148.63 171.01 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 p -71.46 169.93 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.81 105.01 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 133.27 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -142.49 142.97 32.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 mt -143.17 136.81 28.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -146.82 176.06 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -165.47 139.46 4.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.18 152.76 47.7 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -161.6 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.0 OUTLIER 72.06 91.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.79 103.34 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -141.88 45.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.3 t 63.76 148.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -130.42 53.19 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 11.8 ttpp -89.45 -48.07 7.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -65.73 -24.68 67.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.641 HG23 ' CD1' ' A' ' 102' ' ' TYR . 32.7 mt -74.03 -28.04 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 23' ' ' ILE . 16.9 mm -85.15 -51.03 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.488 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.5 -38.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.589 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.6 m-80 -77.36 -51.32 11.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.12 -35.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 HD12 ' A' ' 32' ' ' LEU . 16.6 mt -69.87 -50.26 44.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' ASN . 12.9 m -76.74 -0.07 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.0 m170 -82.82 -48.92 10.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.775 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER 179.51 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.342 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 33.2 m -39.72 -46.85 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 34.6 mt -138.43 36.33 2.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -99.12 128.15 45.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.02 -176.91 23.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -40.54 15.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -30.56 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 36.8 m-20 -105.63 28.01 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.674 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.3 tt0 -78.91 -40.79 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.674 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' ARG . 2.0 tt0 -57.78 -56.54 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 23.4 ttpt -37.72 -59.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -48.63 -47.13 40.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 9.2 mmt180 -61.48 -28.62 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.1 mm -79.97 -35.44 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD22 ' CE1' ' A' ' 24' ' ' HIS . 19.7 mt -71.22 -44.47 65.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 47' ' ' GLU . 11.0 pt-20 -66.66 -45.71 78.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 26.4 mm-40 -57.1 -51.87 67.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.942 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 56.8 mt -55.32 -45.7 77.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.26 -35.43 80.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.93 -20.66 52.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 83' ' ' LEU . 28.6 t -78.03 146.65 35.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.17 23.17 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -106.08 143.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 6.4 p30 -108.13 -7.14 16.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.178 ' CE1' HD23 ' A' ' 73' ' ' LEU . 10.8 t-160 -112.66 103.3 11.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.942 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 90.5 m-85 -112.22 168.28 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 70' ' ' LEU . 5.0 mp -153.3 155.79 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HG23 ' CD2' ' A' ' 67' ' ' PHE . 4.2 mt -110.02 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD11 HG12 ' A' ' 126' ' ' ILE . 22.5 tp -71.53 118.92 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.896 ' HB2' HG22 ' A' ' 125' ' ' THR . 19.3 m-85 -95.16 -176.76 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -106.41 29.83 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.522 ' OD1' ' CD1' ' A' ' 131' ' ' TRP . 1.6 m-20 70.82 112.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.56 91.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -176.0 -45.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.13 37.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.95 98.97 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.745 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 4.2 t80 -38.31 133.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 16.6 mmm180 -114.82 -31.94 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.35 146.47 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.987 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -93.15 141.66 28.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.675 ' N ' HD13 ' A' ' 70' ' ' LEU . 18.6 m-85 -137.38 172.26 13.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.583 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.6 p -129.16 133.1 47.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.178 HD23 ' CE1' ' A' ' 55' ' ' HIS . 12.2 tp -87.71 135.56 33.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.572 ' H ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -86.29 112.36 21.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.9 -20.5 57.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.564 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.6 pt-20 -74.41 -30.04 61.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.564 HG23 ' CG ' ' A' ' 76' ' ' GLU . 67.3 p -133.71 -152.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . 53.8 mt-10 -119.94 -7.33 9.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' O ' HD12 ' A' ' 73' ' ' LEU . 9.0 mp0 -79.8 161.85 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -104.99 -174.21 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.4 t -147.82 133.17 18.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 13.2 ttm-85 -65.42 112.71 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.987 HD23 HD12 ' A' ' 70' ' ' LEU . 57.0 tp -91.93 -54.33 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -165.5 148.84 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 122.79 -146.43 16.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.454 ' C ' ' NH2' ' A' ' 82' ' ' ARG . 38.3 m-85 -138.82 127.76 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.95 -157.58 28.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.03 122.33 7.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -36.17 -48.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 91' ' ' VAL . 2.8 m -121.34 169.76 10.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.722 HG11 ' HE2' ' A' ' 124' ' ' PHE . 77.9 t -150.17 127.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.9 p -100.15 163.5 18.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.02 -8.16 19.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.99 -19.56 31.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 130' ' ' LEU . 3.0 mtm -93.52 -27.21 16.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 9.8 p -61.48 132.51 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -93.17 -54.61 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.56 142.07 13.36 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -116.74 153.94 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.781 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 13.6 m-85 -142.13 166.57 24.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.653 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -120.07 177.49 4.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.641 ' CD1' HG23 ' A' ' 22' ' ' ILE . 4.7 t80 -122.13 115.09 21.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -78.33 100.94 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.98 9.69 13.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.33 -37.26 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -104.21 -5.93 21.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 59.82 40.14 19.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -134.14 -171.57 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.508 ' HE2' ' HB2' ' A' ' 123' ' ' ALA . 1.6 m-85 -126.13 145.44 50.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.405 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 50.2 m -132.41 160.52 36.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.31 156.05 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.653 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.0 mm -98.58 141.25 22.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.0 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.784 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.44 159.35 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.32 2.0 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 99' ' ' ILE . 33.6 m -103.37 167.19 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 73' ' ' LEU . 10.8 mmt -63.16 174.37 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m 167.31 146.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.59 ' CE ' ' CG ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -61.04 -12.87 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.3 m -91.6 26.28 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 112' ' ' ILE . 75.8 t -119.22 150.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -149.86 22.7 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 179.03 141.06 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.722 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.9 p90 -156.06 150.09 25.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.896 HG22 ' HB2' ' A' ' 60' ' ' PHE . 81.8 p -128.97 122.97 31.28 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.466 HG12 HD11 ' A' ' 59' ' ' LEU . 9.0 pt -72.18 160.67 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.01 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -93.22 -38.46 5.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -53.7 -31.72 49.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.589 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 95' ' ' MET . 21.2 mt -61.01 -54.48 44.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.522 ' CD1' ' OD1' ' A' ' 62' ' ' ASP . 92.7 m95 -55.26 -49.59 71.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 107.983 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 132' ' ' GLN . 2.5 pt20 -102.01 73.97 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 160.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt 177.34 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -161.82 103.88 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.6 t -122.16 141.33 51.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.06 143.18 11.04 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -62.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.5 m 63.79 106.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 t -175.29 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.54 170.71 17.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.41 -60.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.72 -143.11 15.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m 60.62 152.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -158.22 -56.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.34 -143.97 15.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 90.53 1.08 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 50.3 mmt-85 -113.65 -172.64 2.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER 86.44 124.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 157.6 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -154.15 130.66 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -84.95 154.33 60.81 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 69.96 87.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.945 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 105.84 1.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -143.63 39.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.1 p -65.03 146.6 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -121.01 14.4 11.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.8 tttt -53.03 -53.33 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -63.18 -20.22 65.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' CD1' ' A' ' 102' ' ' TYR . 68.2 mt -82.71 -28.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -81.35 -39.27 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.04 -36.5 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.626 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' HIS . 55.6 m-20 -78.4 -38.09 42.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.24 67.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.839 HD22 HD12 ' A' ' 32' ' ' LEU . 31.2 mt -70.55 -51.16 30.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.8 m -75.09 -1.28 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -83.33 -48.5 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.752 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.9 OUTLIER 177.07 -37.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.5 m -41.14 -45.39 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD12 HD22 ' A' ' 27' ' ' LEU . 15.6 mt -138.05 32.52 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.752 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.84 129.74 48.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.95 -170.11 28.64 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.74 9.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -19.55 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.5 m-20 -113.09 22.28 14.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.662 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 25.2 tt0 -77.37 -41.27 2.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.04 -37.64 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 32' ' ' LEU . 1.6 tt0 -73.92 -53.76 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HG2' HD22 ' A' ' 45' ' ' LEU . 7.0 ttpp -40.1 -48.99 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -59.13 -46.34 88.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.4 mtt180 -55.62 -41.2 73.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 44' ' ' ILE . 2.7 mm -68.06 -54.25 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.08 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.09 -47.23 23.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.9 -51.08 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 59.2 mm-40 -53.36 -51.68 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.029 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 84.9 mt -54.59 -47.44 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -66.05 -38.9 89.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -25.79 62.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.477 ' HB2' HD11 ' A' ' 83' ' ' LEU . 1.7 t -79.4 139.61 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -89.65 16.38 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.21 131.31 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -100.46 11.35 39.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.174 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.3 t-160 -141.3 116.53 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.029 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 92.8 m-85 -121.34 172.68 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 80' ' ' LEU . 2.4 mp -151.5 165.5 34.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.1 mt -113.52 116.45 52.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 124' ' ' PHE . 37.9 tp -91.13 105.46 17.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 61.3 m-85 -84.89 -174.21 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -33.18 18.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -147.48 -64.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.731 ' HA ' HG21 ' A' ' 125' ' ' THR . 8.9 t -163.34 118.41 1.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 41.48 38.13 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.3 -93.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -141.5 141.61 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.734 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 27.1 t80 -56.67 127.37 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -104.33 -26.25 12.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.59 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -179.86 163.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.05 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -109.9 141.2 42.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.61 ' N ' HD13 ' A' ' 70' ' ' LEU . 22.3 m-85 -135.77 173.21 11.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.749 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.9 p -130.5 135.2 47.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.174 HD23 ' CE1' ' A' ' 55' ' ' HIS . 4.5 tp -88.44 133.98 33.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.823 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.9 m -81.84 125.43 30.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.18 -10.78 84.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' CG ' HG23 ' A' ' 77' ' ' THR . 3.3 pm0 -81.19 -30.9 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.533 HG23 ' CG ' ' A' ' 76' ' ' GLU . 31.8 p -137.19 -146.89 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -120.11 -2.93 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.02 162.45 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -110.11 -170.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.9 t -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.3 ttt-85 -69.94 105.58 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.05 HD23 HD12 ' A' ' 70' ' ' LEU . 47.4 tp -78.29 -61.57 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.17 169.04 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' A' ' 86' ' ' TYR . . . 108.17 -91.2 0.66 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 0.2 OUTLIER 164.27 142.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.3 -154.36 25.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -74.97 127.78 10.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' PRO . 24.7 ttt-85 -37.51 -41.78 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.5 m -138.34 168.96 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 46.9 t -142.25 140.94 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.5 p -117.35 165.41 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.685 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.4 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.21 -24.35 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.753 ' SD ' HD21 ' A' ' 130' ' ' LEU . 16.9 mtm -94.26 -25.6 16.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 93' ' ' PRO . 6.5 p -56.94 137.63 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -98.01 -48.72 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.06 145.21 13.48 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.776 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.4 pt -119.29 134.96 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 30.3 m-85 -123.95 171.37 9.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' CD ' ' HB ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -127.81 -175.36 3.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.616 ' CD1' HG23 ' A' ' 22' ' ' ILE . 17.2 t80 -131.94 114.24 14.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.65 101.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.23 5.56 19.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -113.23 -39.68 4.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -13.72 18.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt 66.08 39.84 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -130.69 176.74 7.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.03 137.41 46.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.418 ' HB ' ' CD ' ' A' ' 101' ' ' LYS . 53.5 m -129.83 166.09 20.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.509 ' HG3' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -101.99 155.82 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.518 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.8 OUTLIER -93.53 140.94 23.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.518 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.1 Cg_endo -75.03 -0.21 9.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.776 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -125.75 159.81 31.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -106.87 3.22 26.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.723 ' O ' HD13 ' A' ' 99' ' ' ILE . 99.9 m -99.84 172.4 7.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.481 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -75.31 145.26 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.8 172.49 18.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.55 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.0 mmt -88.69 29.9 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.25 20.43 2.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 57' ' ' LEU . 47.7 t -104.01 129.76 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 58' ' ' ILE . 3.5 m-20 -130.17 14.08 5.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.755 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -175.63 136.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.248 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 3.2 p90 -146.66 156.46 43.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.731 HG21 ' HA ' ' A' ' 63' ' ' SER . 2.6 p -135.49 112.68 10.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.63 HD12 HD23 ' A' ' 130' ' ' LEU . 32.3 pt -65.72 169.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.566 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -58.41 -175.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -97.06 -53.56 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 8.2 p80 -40.02 -33.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.753 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.4 OUTLIER -51.45 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -47.49 -59.99 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 108.025 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -52.83 161.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -81.18 128.19 33.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.65 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 151.94 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 m -95.22 -52.32 4.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 98.71 84.06 1.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 139' ' ' SER . 18.3 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER 80.11 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.18 113.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.77 108.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -170.38 148.49 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.58 169.4 21.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 162.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -176.95 167.9 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.73 110.52 0.7 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 91.66 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -134.04 137.45 44.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -119.69 125.56 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -160.92 71.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -147.06 144.06 28.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -45.54 153.41 0.59 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 171.21 18.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.82 100.66 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.1 -179.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.77 140.48 27.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' CB ' HD12 ' A' ' 22' ' ' ILE . 45.2 p-10 -112.14 27.22 9.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.831 ' HE2' HG22 ' A' ' 48' ' ' ILE . 9.7 tttt -60.66 -48.47 81.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.87 -26.88 68.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 57.7 mt -74.05 -40.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' ALA . 21.9 mm -65.95 -48.87 80.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -41.15 -51.63 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.157 . . . . 0.0 109.658 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' HIS . 14.1 m-20 -69.11 -35.64 76.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . . . -57.27 -34.27 68.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 48' ' ' ILE . 24.2 mt -72.13 -50.39 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.68 0.02 21.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.594 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -83.31 -48.69 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.603 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -174.65 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.302 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.606 ' SG ' ' CD2' ' A' ' 67' ' ' PHE . 2.6 t -38.53 -36.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 44' ' ' ILE . 67.6 mt -151.59 48.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.1 124.34 52.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.32 -169.17 32.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.36 -33.35 11.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 m -70.05 -36.33 67.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 86.3 m-20 -105.25 30.02 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 22.1 tt0 -80.17 -41.36 1.35 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -75.02 -39.86 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.8 tt0 -71.78 -53.47 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -37.38 -51.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.68 ' HA ' HD12 ' A' ' 45' ' ' LEU . 27.3 m-80 -57.07 -50.22 73.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 40' ' ' GLN . 10.6 mmt180 -51.63 -38.93 56.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 32' ' ' LEU . 6.1 mm -67.71 -54.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 42' ' ' ASN . 13.0 mt -45.1 -49.42 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -56.72 -63.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' GLU . 53.3 mm-40 -36.35 -43.36 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.831 HG22 ' HE2' ' A' ' 20' ' ' LYS . 18.6 mt -64.31 -53.28 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLU . 16.8 mt-10 -62.83 -42.32 99.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -67.65 -37.38 82.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.669 ' HB3' HD11 ' A' ' 83' ' ' LEU . 95.8 p -66.66 144.77 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.44 22.41 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 72' ' ' THR . . . -92.39 161.01 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -120.86 -41.7 2.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.876 ' ND1' HD23 ' A' ' 73' ' ' LEU . 13.8 t-160 -95.28 115.58 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.636 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.588 ' CD2' HG22 ' A' ' 72' ' ' THR . 48.9 m-85 -121.36 141.11 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 80' ' ' LEU . 6.6 mp -120.57 162.8 19.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 67' ' ' PHE . 7.0 mt -111.76 123.3 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.4 tp -91.58 121.46 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 16.6 m-85 -97.04 -173.29 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.4 41.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.2 m-20 62.24 108.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 62' ' ' ASP . 0.3 OUTLIER 40.15 90.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.4 32.31 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -112.67 92.26 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.664 ' HD2' HG23 ' A' ' 58' ' ' ILE . 1.8 t80 -44.9 131.52 7.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -107.61 -37.06 6.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -163.4 164.31 24.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.708 HD21 HG12 ' A' ' 48' ' ' ILE . 39.2 tp -105.77 151.74 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 43.4 m-85 -145.61 156.25 43.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.588 HG22 ' CD2' ' A' ' 56' ' ' PHE . 1.5 p -114.92 130.43 56.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.876 HD23 ' ND1' ' A' ' 55' ' ' HIS . 9.1 tp -78.08 134.87 37.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.685 ' N ' HD12 ' A' ' 73' ' ' LEU . 33.2 m -79.39 123.55 27.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 -31.04 71.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -69.95 -30.81 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 76' ' ' GLU . 32.9 p -133.12 -145.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HA ' HD11 ' A' ' 73' ' ' LEU . 40.3 mt-10 -129.14 4.72 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.43 161.56 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -121.14 129.26 53.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 t -95.75 146.35 24.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.542 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 12.5 ttt180 -73.95 104.21 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 51' ' ' SER . 64.9 tp -77.18 -61.8 1.87 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -143.42 173.14 11.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 82' ' ' ARG . . . 82.73 -165.08 43.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -116.33 152.83 33.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.53 -158.18 27.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.4 Cg_endo -75.01 131.31 14.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' PRO . 11.2 ttt180 -38.47 -46.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -138.75 169.97 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' N ' HG22 ' A' ' 90' ' ' THR . 50.9 t -141.53 135.2 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.7 p -113.28 167.92 8.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.449 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.5 Cg_endo -74.97 -6.1 17.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.69 -14.67 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.892 ' HB3' HD21 ' A' ' 130' ' ' LEU . 12.4 mtm -105.51 -23.95 12.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 93' ' ' PRO . 2.6 p -58.31 139.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -102.85 -45.96 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.27 157.31 27.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.669 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.4 pt -125.89 149.51 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 20.6 m-85 -143.83 151.44 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -107.53 -177.57 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.594 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 15.9 t80 -128.07 112.07 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.85 100.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.21 2.16 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.76 -40.2 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -7.27 35.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt 55.99 42.55 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -132.62 -178.86 5.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.88 137.36 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LYS . 57.8 m -130.94 156.79 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -97.39 154.32 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.599 HD13 ' HD2' ' A' ' 101' ' ' LYS . 2.1 mm -96.9 141.38 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.586 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.99 -5.06 16.31 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.669 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -112.47 157.69 20.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.16 3.98 24.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.567 ' O ' HD13 ' A' ' 99' ' ' ILE . 25.1 m -100.7 165.9 11.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.7 115.02 16.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.9 t -122.25 158.81 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.558 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 4.8 mmt -77.67 52.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.39 29.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 99' ' ' ILE . 54.2 t -112.82 137.65 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.83 9.55 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -167.61 151.42 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.2 p90 -160.18 150.48 18.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.3 p -128.14 121.8 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 130' ' ' LEU . 28.4 pt -71.4 175.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.578 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 1.7 mt-30 -65.81 -174.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 130' ' ' LEU . . . -96.74 -53.92 1.37 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 7.0 p80 -39.95 -29.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.61 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -51.9 -58.72 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -55.25 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.77 137.79 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.83 -65.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.2 159.8 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.1 t -164.88 89.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 163.88 112.53 0.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.82 11.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.39 133.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.1 t -120.13 112.9 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.87 170.36 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 170.55 16.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 -154.05 25.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m 67.08 152.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 168.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 94.48 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -178.74 4.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -135.07 -179.07 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 142.3 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -173.96 166.56 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -171.76 140.73 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.14 153.37 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 t -177.9 116.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.51 108.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -143.93 33.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 1.5 m -53.49 126.72 22.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.4 p-10 -116.83 46.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.812 ' HE2' HG22 ' A' ' 48' ' ' ILE . 5.9 ttmt -81.54 -51.23 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.71 -19.25 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -80.37 -24.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 58' ' ' ILE . 17.7 mm -85.07 -48.31 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -39.75 -44.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.8 m-80 -74.3 -49.37 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.0 -28.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 32' ' ' LEU . 20.9 mt -75.67 -51.46 12.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -76.3 -0.53 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' ASN . 1.4 m-70 -83.19 -48.34 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 178.76 -38.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.334 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 55.3 m -41.77 -46.51 3.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 18.4 mt -140.23 43.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.566 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -112.3 133.54 54.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . 135.82 171.57 12.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -36.83 73.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -63.47 -33.54 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' CA ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -116.46 25.12 10.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 14.9 tt0 -78.05 -42.97 2.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.03 -37.3 2.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 2.0 tt0 -70.98 -47.0 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 4.7 ttpt -39.65 -59.22 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 57.1 m-80 -48.75 -45.88 40.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -62.43 -28.96 70.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.2 mm -82.25 -43.62 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 41' ' ' LYS . 30.1 mt -57.98 -41.73 83.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -66.93 -59.6 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' GLU . 40.7 mm-40 -37.81 -45.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.812 HG22 ' HE2' ' A' ' 20' ' ' LYS . 10.1 mt -65.23 -50.12 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.8 mm-40 -61.88 -27.95 69.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.12 -19.51 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 t -85.06 137.16 33.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -92.27 23.33 3.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.14 155.07 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -111.42 -19.35 12.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.769 ' ND1' HD23 ' A' ' 73' ' ' LEU . 11.3 t-160 -115.72 123.63 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.652 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' HG22 ' A' ' 72' ' ' THR . 76.3 m-85 -130.36 136.54 49.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.909 HD13 HD21 ' A' ' 80' ' ' LEU . 6.1 mp -116.79 161.45 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD12 ' A' ' 23' ' ' ILE . 8.9 mt -116.36 132.14 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ARG . 68.1 tp -92.38 127.71 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.657 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 10.4 m-85 -106.25 177.45 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -98.69 41.48 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER 81.48 -53.9 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -160.22 122.03 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 110.002 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 63' ' ' SER . 0.4 OUTLIER 161.6 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.05 54.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.325 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -136.82 114.07 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.693 ' CZ ' HD11 ' A' ' 32' ' ' LEU . 9.3 t80 -45.31 128.54 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 mmm180 -113.35 -18.41 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 68' ' ' ARG . . . 169.62 155.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.796 HD21 HG12 ' A' ' 48' ' ' ILE . 35.7 tp -102.48 153.08 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 82' ' ' ARG . 37.9 m-85 -149.73 151.15 33.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.598 HG23 HD22 ' A' ' 83' ' ' LEU . 2.2 p -110.77 132.38 54.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.8 tp -82.93 133.72 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.507 ' H ' HD12 ' A' ' 73' ' ' LEU . 19.8 m -87.61 118.25 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.03 -19.83 61.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.2 pt-20 -75.84 -29.51 58.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 59.0 p -137.8 -150.94 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.467 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -124.57 -1.4 8.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -74.93 163.24 27.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.909 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -124.0 136.7 54.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 t -98.32 145.04 27.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 1.8 ttt-85 -73.26 103.88 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.598 HD22 HG23 ' A' ' 72' ' ' THR . 13.5 tp -71.45 -61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -155.64 168.85 25.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.8 -129.67 9.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -162.75 113.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.58 -148.76 8.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.02 122.86 7.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 41.9 ttt-85 -37.76 -42.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.5 m -139.2 166.95 23.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.421 ' N ' HG22 ' A' ' 90' ' ' THR . 72.6 t -135.09 150.33 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 p -125.52 162.4 44.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -5.73 17.16 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.55 -16.79 31.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.754 ' HB3' HD21 ' A' ' 130' ' ' LEU . 26.1 mtm -102.42 -24.02 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.0 139.36 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -107.21 -50.46 3.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.26 23.61 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 114' ' ' ALA . 3.1 pt -137.81 132.96 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -129.42 160.43 33.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -112.76 -177.24 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.6 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 25.4 t80 -124.57 110.58 14.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -72.31 101.71 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 8.42 13.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -33.53 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 -8.94 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 mttt 68.28 23.16 7.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -114.66 -162.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -132.3 143.69 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 101' ' ' LYS . 17.1 m -127.31 162.9 25.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.378 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -99.7 154.59 18.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' A' ' 113' ' ' PRO . 0.7 OUTLIER -93.81 140.94 23.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.555 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -116.24 162.51 17.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -107.7 3.11 24.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 99' ' ' ILE . 94.8 m -110.23 162.37 14.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.97 166.56 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 159.64 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.504 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 5.7 mmt -73.6 55.33 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.55 31.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.7 t -115.83 127.32 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.415 ' CB ' ' HB2' ' A' ' 102' ' ' TYR . 3.3 m-20 -123.04 9.7 9.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.657 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -174.92 145.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 3.3 p90 -150.81 143.67 24.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 p -114.18 113.09 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.868 HD12 HD23 ' A' ' 130' ' ' LEU . 28.2 pt -66.34 173.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.01 171.56 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -89.54 -41.77 5.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.437 1.085 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.434 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 22.0 p-80 -51.03 -23.74 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.62 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.868 HD23 HD12 ' A' ' 126' ' ' ILE . 1.2 mp -57.61 -64.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -53.42 -64.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.12 110.53 22.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.21 160.66 38.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 -45.59 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.86 174.42 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.4 t -175.46 144.6 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -135.0 157.61 23.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.81 13.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.16 26.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.1 t 75.41 154.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 p 178.38 165.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 168.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.77 176.54 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 176.24 136.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.26 171.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.01 102.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 62.57 119.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 75.5 mt -140.37 130.23 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.85 105.69 2.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.27 131.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.22 152.58 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.503 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.25 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.98 165.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -175.22 112.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 t 61.43 148.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.576 ' CB ' HD12 ' A' ' 22' ' ' ILE . 11.9 p-10 -146.49 30.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.926 ' HE2' HG22 ' A' ' 48' ' ' ILE . 8.0 tttt -63.48 -49.56 73.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -61.34 -26.86 68.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 19' ' ' ASN . 50.4 mt -72.53 -27.0 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -83.66 -46.88 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.494 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -47.21 -25.15 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' HIS . 9.2 m-80 -91.04 -39.92 11.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.64 -33.3 63.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.75 -49.96 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 6.0 m -76.33 -0.61 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.602 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 0.2 OUTLIER -84.95 -47.25 10.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -179.68 -39.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 108.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' CYS . 87.1 m -39.96 -41.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' CE1' ' A' ' 67' ' ' PHE . 34.3 mt -150.47 45.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -109.24 128.41 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.97 -173.16 26.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 9.3 tttt -87.78 -47.89 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -50.24 -46.47 25.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 71.1 m-20 -92.27 33.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 5.4 tt0 -79.9 -41.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.03 -40.37 0.91 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -70.59 -56.32 6.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 22.4 ttpt -37.94 -49.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.5 m-80 -57.94 -47.98 81.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 40' ' ' GLN . 5.6 mmt85 -54.27 -36.32 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.606 HG22 HD11 ' A' ' 48' ' ' ILE . 3.5 mm -75.16 -47.73 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 24' ' ' HIS . 24.6 mt -53.24 -43.44 67.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.5 mm-40 -66.83 -62.58 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -40.41 -45.19 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.926 HG22 ' HE2' ' A' ' 20' ' ' LYS . 31.5 mt -62.87 -47.68 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.4 mt-10 -64.76 -32.12 73.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -36.1 44.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.2 t -63.92 136.0 56.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 32.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . . . -119.04 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.23 26.49 2.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.035 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.6 t-160 -135.9 126.48 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 94.3 m-85 -144.94 118.01 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.851 HD13 HD21 ' A' ' 80' ' ' LEU . 6.0 mp -107.79 152.16 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mt -103.06 130.3 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' ARG . 36.6 tp -92.27 118.45 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 60.4 m-85 -101.53 -174.06 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -20.72 24.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 125' ' ' THR . 2.3 t70 -164.98 -55.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.52 ' HA ' HG21 ' A' ' 125' ' ' THR . 57.9 m -166.57 113.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 60' ' ' PHE . 0.9 OUTLIER 38.84 54.47 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.9 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 108.284 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -144.09 135.14 25.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.09 . . . . 0.0 110.332 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.725 ' CE1' HD11 ' A' ' 32' ' ' LEU . 23.9 t80 -51.22 125.61 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.7 mmm180 -108.36 -36.03 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.98 148.45 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 83' ' ' LEU . 6.7 tp -92.83 154.0 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 82' ' ' ARG . 41.4 m-85 -147.64 148.49 31.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.578 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.0 p -106.93 139.8 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.085 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.035 HD23 ' CE1' ' A' ' 55' ' ' HIS . 13.1 tp -94.39 135.1 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.586 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -82.07 109.74 16.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.68 -19.68 49.71 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.587 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.4 OUTLIER -76.84 -29.83 56.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.587 HG23 ' CG ' ' A' ' 76' ' ' GLU . 65.8 p -132.81 -152.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -119.43 -7.75 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.7 mp0 -77.75 160.99 28.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.851 HD21 HD13 ' A' ' 57' ' ' LEU . 1.1 mt -107.81 -170.34 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.4 t -152.6 134.74 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 4.2 ttt180 -68.56 100.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.132 HD23 HD23 ' A' ' 70' ' ' LEU . 30.2 tp -72.77 -62.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -153.67 163.51 39.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.33 -111.83 2.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -179.4 119.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.22 -152.61 13.01 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.3 Cg_endo -75.03 126.33 9.88 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' PRO . 37.0 ttt85 -36.51 -39.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.9 m -143.94 168.15 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 124' ' ' PHE . 44.0 t -136.96 147.78 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 51.8 p -123.08 163.45 33.47 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.438 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.1 -4.89 16.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.75 -17.59 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.698 ' HB3' HD21 ' A' ' 130' ' ' LEU . 25.1 mtm -103.64 -22.78 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' A' ' 93' ' ' PRO . 10.4 p -62.85 126.86 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.6 -50.61 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -152.44 164.83 30.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.6 pt -127.15 147.82 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.687 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.0 m-85 -139.48 173.05 11.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.03 -170.78 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.602 ' OH ' ' CE1' ' A' ' 29' ' ' HIS . 21.5 t80 -137.92 112.62 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -67.16 101.86 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.65 1.02 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.3 -37.8 5.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -107.66 5.87 27.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ASN . 4.7 ptpt 45.62 45.25 10.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 103' ' ' ASN . 5.6 mtm180 -126.45 -175.15 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 7.0 m-85 -129.32 138.32 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.3 m -125.46 156.53 38.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -105.13 104.61 14.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.926 HG13 HG22 ' A' ' 121' ' ' VAL . 1.6 mm -40.64 140.81 0.98 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -75.05 -5.05 16.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.56 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -111.46 161.93 15.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -109.25 4.38 22.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.555 ' O ' HD13 ' A' ' 99' ' ' ILE . 9.2 m -101.18 154.79 18.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 158.48 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -177.91 159.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.496 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -70.93 -4.02 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 m -96.23 15.79 20.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.926 HG22 HG13 ' A' ' 112' ' ' ILE . 46.0 t -115.61 137.29 49.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 6.91 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . -161.9 152.03 16.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.552 ' HE2' HG11 ' A' ' 91' ' ' VAL . 0.7 OUTLIER -160.66 150.24 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.52 HG21 ' HA ' ' A' ' 63' ' ' SER . 53.9 p -128.8 116.11 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.431 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.779 HD12 HD23 ' A' ' 130' ' ' LEU . 26.5 pt -64.89 171.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.99 -178.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.24 -36.51 4.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.594 ' CD2' ' CD1' ' A' ' 130' ' ' LEU . 6.1 p-80 -60.64 -21.13 62.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.779 HD23 HD12 ' A' ' 126' ' ' ILE . 1.4 mp -61.53 -48.48 80.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -63.78 -64.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -120.79 130.03 53.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.312 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -165.96 175.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -139.87 100.82 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 140.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.3 147.64 25.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.09 83.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.98 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 29.3 p -161.2 157.73 26.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 133.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -75.99 108.53 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.962 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -151.77 115.47 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.64 106.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -141.19 96.62 3.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.75 68.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.63 152.5 19.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 124.74 8.8 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.799 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 72.48 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD23 ' N ' ' A' ' 11' ' ' TYR . 4.6 tt -46.2 129.45 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.683 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -169.74 171.26 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 mttt 64.07 149.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -141.31 154.14 66.99 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.48 4.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.56 78.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 17' ' ' LYS . . . 56.44 -162.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 3.3 tttp 68.77 60.02 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.458 ' CB ' ' HB2' ' A' ' 54' ' ' ASN . 15.4 m -94.0 135.32 35.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.944 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -106.46 23.14 14.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 48' ' ' ILE . 7.8 ttmt -66.2 -45.55 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -66.61 -25.39 66.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 66.0 mt -75.4 -41.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 58' ' ' ILE . 20.7 mm -72.32 -35.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 15.8 t-80 -54.42 -36.27 63.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.584 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' HIS . 4.4 m-20 -84.0 -30.02 26.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.95 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 45' ' ' LEU . 23.9 mt -67.87 -50.28 57.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -74.96 -1.49 22.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -83.57 -48.61 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 23.4 t -179.2 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 30' ' ' CYS . 9.0 m -39.07 -51.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.254 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD11 ' CE1' ' A' ' 67' ' ' PHE . 15.5 mt -138.66 42.47 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -101.24 146.69 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.94 -166.62 16.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.56 ' CD ' ' N ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -95.07 -48.01 6.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.56 ' N ' ' CD ' ' A' ' 35' ' ' LYS . 19.4 m -42.79 -45.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' ND2' HD23 ' A' ' 32' ' ' LEU . 52.5 m-20 -100.22 42.49 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.667 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 12.9 tt0 -79.52 -41.08 1.49 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.2 Cg_endo -75.01 -55.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.803 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ARG . 3.2 tt0 -54.15 -54.08 44.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.73 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.2 ttpt -39.42 -59.69 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.477 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 31.6 m-80 -52.87 -50.91 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt180 -51.0 -34.0 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.569 ' N ' HD13 ' A' ' 44' ' ' ILE . 3.3 mm -71.91 -60.81 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.21 -44.0 22.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 1.2 mm-40 -63.57 -52.36 61.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' SER . 43.7 mm-40 -58.28 -45.13 88.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.105 HG23 ' CZ ' ' A' ' 56' ' ' PHE . 90.2 mt -58.15 -45.62 88.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.69 -34.94 74.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -18.35 56.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' GLU . 33.0 t -78.18 141.71 38.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 24.43 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.33 145.23 39.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' HB2' ' CB ' ' A' ' 18' ' ' SER . 4.4 p-10 -109.85 -8.35 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 1.016 ' CE1' HD23 ' A' ' 73' ' ' LEU . 15.4 t-160 -114.48 107.27 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 1.105 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 93.2 m-85 -109.62 172.94 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.898 HD13 HD21 ' A' ' 80' ' ' LEU . 1.6 mp -158.14 139.86 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 67' ' ' PHE . 2.5 mp -97.01 136.42 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' ARG . 40.5 tp -94.87 126.22 40.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.642 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 39.5 m-85 -114.33 175.6 5.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -28.57 27.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' HG21 ' A' ' 125' ' ' THR . 1.1 m-20 -138.51 -58.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.523 ' O ' ' CG ' ' A' ' 60' ' ' PHE . 13.5 p -167.43 -91.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -94.91 50.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.2 m -97.32 -95.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.287 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -140.5 172.9 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.671 ' CE1' HD11 ' A' ' 32' ' ' LEU . 3.3 t80 -83.44 138.46 33.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -115.69 -37.7 3.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . -170.89 153.69 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -101.49 139.37 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.668 ' N ' HD13 ' A' ' 70' ' ' LEU . 24.3 m-85 -134.64 170.56 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.701 HG22 ' CD1' ' A' ' 56' ' ' PHE . 3.2 p -124.73 140.22 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' CE1' ' A' ' 55' ' ' HIS . 5.1 tp -89.83 132.83 35.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 m -79.29 112.91 16.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.8 78.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.0 OUTLIER -64.22 -30.41 71.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' CG ' ' A' ' 76' ' ' GLU . 14.1 p -137.22 -145.78 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -121.07 -2.61 9.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.5 mp0 -79.54 160.52 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.898 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.96 -171.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' THR . 38.3 t -151.42 134.66 16.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.4 ttt-85 -67.65 104.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 70' ' ' LEU . 24.8 tp -77.44 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.28 165.01 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 115.07 -106.83 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 t80 178.33 116.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.41 -155.77 20.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.04 127.85 10.99 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.4 ptm180 -36.98 -51.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 91' ' ' VAL . 3.0 m -126.78 169.28 13.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.682 HG11 ' HE2' ' A' ' 124' ' ' PHE . 79.8 t -144.75 145.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.5 p -121.93 165.2 21.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.2 Cg_endo -75.06 -6.6 18.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.62 -10.85 44.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.455 ' SD ' ' CD2' ' A' ' 130' ' ' LEU . 3.5 mtm -106.58 -24.3 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 93' ' ' PRO . 12.1 p -68.25 128.5 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.53 -49.76 11.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -149.98 149.5 21.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.845 HD11 ' O ' ' A' ' 114' ' ' ALA . 2.5 pt -113.13 156.23 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 4.7 m-85 -148.15 151.79 36.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.648 ' N ' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -103.18 178.66 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.7 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 33.0 t80 -122.56 111.0 16.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.1 100.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.37 2.31 22.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.4 -42.05 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.28 -3.39 47.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 51.86 44.44 29.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 -178.5 5.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -116.09 136.16 53.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.2 m -125.17 161.64 26.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.73 156.04 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 113' ' ' PRO . 1.4 mm -101.87 142.16 24.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.4 Cg_endo -75.04 -5.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.772 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.845 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -113.64 154.94 26.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 6.79 35.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.636 ' O ' HD13 ' A' ' 99' ' ' ILE . 61.4 m -109.39 171.12 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.487 ' N ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER -74.03 144.0 45.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m -161.94 151.45 16.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . . . . . . . . . 2.3 mmt -56.36 -16.79 6.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.3 m -91.35 33.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.647 HG12 HD21 ' A' ' 57' ' ' LEU . 55.6 t -127.67 138.83 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 1.1 m-20 -143.46 30.31 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 175.39 141.15 0.05 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.682 ' HE2' HG11 ' A' ' 91' ' ' VAL . 1.5 p90 -156.73 155.95 32.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.529 HG21 ' O ' ' A' ' 62' ' ' ASP . 75.2 p -136.8 136.19 38.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 pt -86.95 152.99 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.28 162.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -80.63 -38.54 16.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -54.76 -34.49 62.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 109.576 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' SD ' ' A' ' 95' ' ' MET . 30.7 mt -59.23 -55.49 34.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -48.2 -65.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.89 112.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.3 m 65.69 160.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -66.91 164.28 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 171.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -56.16 2.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.67 95.61 1.01 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 168.8 24.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.782 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 151.86 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 m -178.82 161.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.46 81.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.46 79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.37 83.67 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.7 98.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.34 81.62 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.88 -91.62 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -130.5 -174.64 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -144.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.41 -176.71 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 141.44 12.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -42.89 153.3 0.34 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -170.77 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t 50.74 55.86 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.51 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -109.12 -146.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' LYS . 5.3 p 165.36 139.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -99.22 53.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 2.3 ttmt -85.79 -48.68 8.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -65.84 -19.33 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 102' ' ' TYR . 51.3 mt -80.39 -27.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mm -89.09 -39.2 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -47.54 -29.09 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.631 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' HIS . 50.5 m-20 -91.07 -44.48 9.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.35 -29.2 0.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 32' ' ' LEU . 21.0 mt -74.4 -50.98 16.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -0.42 23.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CE1' ' OH ' ' A' ' 102' ' ' TYR . 2.0 m170 -82.77 -48.62 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER 177.71 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' CYS . 76.4 m -41.14 -46.4 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD12 HD22 ' A' ' 27' ' ' LEU . 20.9 mt -138.31 34.7 2.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 30' ' ' CYS . . . -95.01 128.11 41.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.41 -170.23 25.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -42.22 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -51.55 -34.46 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 68.3 m-20 -106.89 36.9 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.67 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 15.8 tt0 -79.33 -41.07 1.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ARG . 1.7 tt0 -63.74 -56.51 15.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 21.1 ttpt -38.4 -52.64 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 45' ' ' LEU . 18.0 m-80 -55.62 -47.69 76.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLN . 6.7 mmt85 -56.4 -38.07 71.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.483 ' N ' HD13 ' A' ' 44' ' ' ILE . 4.8 mm -69.68 -53.94 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 42' ' ' ASN . 14.1 mt -46.91 -44.75 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -69.96 -67.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' SER . 72.7 mm-40 -37.09 -48.94 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 44' ' ' ILE . 81.1 mt -54.88 -52.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 mm-40 -65.96 -46.32 78.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -23.45 67.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 83' ' ' LEU . 15.8 t -83.56 139.34 32.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -92.57 31.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 56' ' ' PHE . . . -86.9 150.94 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p-10 -114.53 -10.66 12.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.914 ' ND1' HD23 ' A' ' 73' ' ' LEU . 17.3 t-160 -135.5 109.56 8.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.636 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.742 ' CD1' HG22 ' A' ' 72' ' ' THR . 96.9 m-85 -108.65 167.1 10.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 HD21 ' A' ' 80' ' ' LEU . 2.3 mp -154.96 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' A' ' 67' ' ' PHE . 8.4 mt -101.68 130.56 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' ARG . 34.5 tp -92.36 111.9 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.683 ' HE2' ' HB1' ' A' ' 123' ' ' ALA . 25.5 m-85 -94.53 -178.43 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -102.1 66.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 63.35 -83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -137.19 103.17 5.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 26.5 p -172.26 -40.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 64' ' ' SER . 6.1 t 83.03 49.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -134.42 101.78 5.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.705 ' CD2' HG23 ' A' ' 58' ' ' ILE . 6.5 t80 -41.77 132.06 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 18.4 mmt180 -113.22 -27.29 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' HE1' ' A' ' 71' ' ' TYR . . . 179.53 149.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.044 HD12 HD23 ' A' ' 83' ' ' LEU . 3.4 tm? -94.72 143.08 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.65 ' N ' HD13 ' A' ' 70' ' ' LEU . 23.6 m-85 -137.34 167.12 22.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' CD1' ' A' ' 56' ' ' PHE . 2.4 p -124.36 142.51 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.914 HD23 ' ND1' ' A' ' 55' ' ' HIS . 13.2 tp -96.05 134.23 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.543 ' H ' HD12 ' A' ' 73' ' ' LEU . 3.6 m -84.58 117.17 23.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.69 -23.9 70.91 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 77' ' ' THR . 2.8 pm0 -66.97 -30.96 71.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.554 HG23 ' CG ' ' A' ' 76' ' ' GLU . 39.5 p -136.4 -146.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.61 -1.44 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.633 ' O ' HD12 ' A' ' 73' ' ' LEU . 6.4 mp0 -81.64 162.87 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.772 HD21 HD13 ' A' ' 57' ' ' LEU . 1.4 mt -109.38 -170.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.3 t -152.57 134.59 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -69.16 101.52 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.044 HD23 HD12 ' A' ' 70' ' ' LEU . 44.5 tp -73.02 -62.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.99 167.16 31.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 86' ' ' TYR . . . 111.87 -98.28 0.99 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER 167.04 132.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 0.766 . . . . 0.0 110.974 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 158.91 -149.7 19.91 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -74.98 125.94 9.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -38.22 -45.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.8 m -135.73 168.92 18.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 90' ' ' THR . 77.8 t -139.64 142.94 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.8 p -117.67 164.2 20.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HA ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -75.03 -5.78 17.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.11 -12.8 37.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.735 ' SD ' HD21 ' A' ' 130' ' ' LEU . 6.9 mtm -104.39 -24.53 13.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 93' ' ' PRO . 14.8 p -66.03 120.81 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.18 -52.78 7.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.75 150.36 21.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.744 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.1 pt -119.47 156.62 21.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.96 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 7.1 m-85 -144.89 169.43 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -133.06 -172.56 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 22' ' ' ILE . 21.4 t80 -134.05 113.21 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' LYS . 27.6 m120 -66.96 102.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.68 -0.13 19.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.25 -28.79 10.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -113.92 2.44 15.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 12.0 ptpt 48.15 48.87 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 3.0 mtm180 -139.37 -172.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.71 154.86 27.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' A' ' 101' ' ' LYS . 99.4 m -145.63 159.37 43.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.393 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 112' ' ' ILE . 6.2 tt0 -96.17 149.79 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 121' ' ' VAL . 2.1 mm -95.41 141.07 22.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.2 Cg_endo -74.99 -7.4 19.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.744 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -107.77 162.96 13.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.41 4.04 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.614 ' O ' HD13 ' A' ' 99' ' ' ILE . 82.7 m -107.39 164.25 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 73' ' ' LEU . 12.9 mmt -63.3 164.47 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.8 t 178.14 141.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -53.67 -18.12 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 m -90.03 34.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 112' ' ' ILE . 50.3 t -127.27 149.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 7.3 m-20 -151.04 26.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.96 ' HB3' ' HB2' ' A' ' 100' ' ' TYR . . . 177.47 139.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 2.8 p90 -152.21 153.69 34.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 60' ' ' PHE . 9.0 p -130.86 115.79 17.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 130' ' ' LEU . 42.4 pt -67.06 168.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.417 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -58.99 178.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -94.99 -40.08 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.54 ' CD2' HD13 ' A' ' 130' ' ' LEU . 36.7 p-80 -53.53 -20.2 4.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 109.655 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.735 HD21 ' SD ' ' A' ' 95' ' ' MET . 0.1 OUTLIER -63.53 -63.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -49.95 -49.09 51.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 107.986 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.55 -56.28 7.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.4 115.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -177.15 121.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 90.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.5 p -136.31 126.44 26.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -147.19 156.37 26.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.98 28.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.2 t -130.92 -58.84 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.8 p -59.66 162.32 5.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.472 1.108 . . . . 0.0 110.949 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.89 161.35 36.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.74 -57.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.29 178.6 28.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.586 1.179 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.56 170.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.949 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.4 144.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.946 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.88 107.21 0.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.15 40.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 5.3 mtt-85 -123.35 -172.28 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 87.65 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.75 158.2 43.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -175.19 132.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -146.04 153.48 49.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 t 56.55 55.35 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.59 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -174.93 101.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 p -67.32 139.36 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -116.52 36.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 56' ' ' PHE . 19.3 ttpp -78.07 -44.79 25.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -67.0 -23.43 65.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' ' CD1' ' A' ' 102' ' ' TYR . 59.5 mt -76.76 -27.33 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 HD12 ' CD1' ' A' ' 58' ' ' ILE . 21.8 mm -88.2 -44.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 7.7 t-80 -45.32 -38.97 6.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 1.7 m-80 -79.69 -35.19 39.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . . . -58.94 -29.67 67.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 45' ' ' LEU . 34.4 mt -75.14 -52.78 10.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.481 ' C ' ' HB2' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.22 0.09 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 25' ' ' ASN . 1.7 m170 -79.98 -48.76 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' CYS . 1.1 m -172.11 -41.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' CB ' ' A' ' 67' ' ' PHE . 4.0 t -39.42 -49.6 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 108.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 27' ' ' LEU . 10.5 mt -146.39 61.7 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' HB2' ' C ' ' A' ' 28' ' ' SER . . . -116.74 3.37 13.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.18 147.54 19.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.96 79.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.2 m -47.6 -34.17 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 89.0 m-20 -107.99 41.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.672 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 16.8 tt0 -78.68 -41.1 1.76 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 18.4 Cg_endo -74.98 -40.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' LYS . 1.8 tt0 -71.07 -53.78 13.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 31.1 ttpt -36.71 -56.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 33.5 m-80 -54.08 -51.28 64.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLN . 2.8 mmt-85 -51.31 -35.9 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 44' ' ' ILE . 6.2 mm -69.07 -60.36 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -47.35 -49.46 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -54.21 -53.98 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' SER . 6.7 mm-40 -49.27 -50.42 39.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' CE2' ' A' ' 56' ' ' PHE . 36.3 mt -59.31 -48.17 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.14 -29.07 70.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -84.5 -25.63 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -71.44 135.34 47.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.05 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 4.9 tttp -93.72 31.09 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.1 155.51 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -106.47 -18.33 14.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.64 ' CE1' HD23 ' A' ' 73' ' ' LEU . 2.0 t-160 -98.87 132.78 43.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.558 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.803 ' CE2' HG23 ' A' ' 48' ' ' ILE . 97.6 m-85 -142.55 120.93 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD13 HD21 ' A' ' 80' ' ' LEU . 3.8 mp -110.43 159.95 17.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 67' ' ' PHE . 6.2 mt -112.01 115.19 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' CE1' ' A' ' 71' ' ' TYR . 21.6 tp -81.66 132.78 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.752 ' CE1' ' HB1' ' A' ' 123' ' ' ALA . 48.1 m-85 -112.07 135.48 52.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.41 -34.63 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -179.34 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 127.57 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.54 ' HA ' ' CD2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -72.51 57.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.62 -51.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -93.54 135.24 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 58' ' ' ILE . 1.4 t80 -83.37 133.08 34.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -46.93 4.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' C ' ' CZ ' ' A' ' 67' ' ' PHE . . . -164.5 161.12 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 HG12 ' A' ' 48' ' ' ILE . 41.6 tp -97.7 154.42 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.71 ' CE1' HD22 ' A' ' 59' ' ' LEU . 57.1 m-85 -149.41 170.78 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 56' ' ' PHE . 2.1 p -133.07 131.53 40.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 74' ' ' SER . 5.0 tp -77.3 133.12 38.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.735 ' N ' HD12 ' A' ' 73' ' ' LEU . 65.9 m -78.11 108.0 11.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.68 -24.43 62.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -69.18 -31.05 69.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 76' ' ' GLU . 26.0 p -139.81 -145.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.34 -4.7 11.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 2.9 mp0 -78.75 160.71 27.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.775 HD21 HD13 ' A' ' 57' ' ' LEU . 1.2 mt -106.7 -171.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -147.85 136.2 21.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 71' ' ' TYR . 2.5 ttt-85 -72.01 102.37 2.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.643 HD23 HD23 ' A' ' 70' ' ' LEU . 17.4 tp -73.9 -62.09 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' HB1' ' A' ' 69' ' ' ALA . . . -157.73 177.62 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.45 -106.12 2.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 176.55 127.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.69 -152.09 21.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.0 123.56 7.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -37.7 -42.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 91' ' ' VAL . 1.7 m -137.01 168.82 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 90' ' ' THR . 42.7 t -138.66 144.22 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 ' HB ' ' HD2' ' A' ' 93' ' ' PRO . 72.3 p -119.44 163.03 29.28 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' O ' HG12 ' A' ' 96' ' ' VAL . 18.3 Cg_endo -74.95 -5.67 17.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.054 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.46 -16.23 33.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 130' ' ' LEU . 24.7 mtm -103.91 -24.13 13.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 93' ' ' PRO . 4.8 p -62.02 135.52 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -98.04 -49.99 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.54 162.23 28.45 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 114' ' ' ALA . 1.3 pt -130.28 152.33 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' HB2' ' HB3' ' A' ' 123' ' ' ALA . 12.7 m-85 -147.09 148.97 32.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' HD2' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -99.83 178.36 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.653 ' CE2' ' HB2' ' A' ' 26' ' ' ALA . 20.5 t80 -122.33 115.07 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.88 98.95 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.8 4.54 24.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -37.47 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.27 -11.49 24.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt 61.98 42.03 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.81 -177.28 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -120.79 138.26 54.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' LYS . 97.4 m -126.72 155.44 42.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.429 ' CG ' ' N ' ' A' ' 112' ' ' ILE . 28.8 tt0 -93.13 155.58 17.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG13 HG22 ' A' ' 121' ' ' VAL . 1.5 mm -99.73 141.91 23.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.64 ' HD2' HG22 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -74.95 -5.55 16.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.759 ' O ' HD11 ' A' ' 99' ' ' ILE . . . -109.28 154.65 22.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.61 6.59 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.505 ' O ' HD13 ' A' ' 99' ' ' ILE . 47.4 m -106.94 165.96 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.467 ' HB3' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -70.92 149.39 46.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -167.36 153.32 7.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.555 ' CE ' ' ND1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -62.84 -11.51 18.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -92.45 25.79 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 HG13 ' A' ' 112' ' ' ILE . 85.3 t -121.59 141.6 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -140.9 16.71 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.752 ' HB1' ' CE1' ' A' ' 60' ' ' PHE . . . -173.68 144.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.585 ' CZ ' HD13 ' A' ' 59' ' ' LEU . 2.7 p90 -155.02 148.65 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.7 HG22 ' HB2' ' A' ' 60' ' ' PHE . 5.1 p -125.52 110.03 13.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.944 HD12 HD23 ' A' ' 130' ' ' LEU . 38.3 pt -63.55 168.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 129' ' ' HIS . 0.7 OUTLIER -56.05 172.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' HIS . . . -88.67 -54.84 2.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 127' ' ' GLN . 14.9 p80 -39.48 -34.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.607 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.944 HD23 HD12 ' A' ' 126' ' ' ILE . 2.3 mp -44.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -50.43 -65.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 107.947 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -40.39 160.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.7 m -101.39 132.05 47.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -162.42 -64.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.42 175.75 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.1 p -137.2 151.3 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.62 93.93 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.35 31.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.555 1.818 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.5 m 61.83 135.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 99.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.996 . . . . . . . . 0 0 . 1 stop_ save_